- An efficient aerobic oxidative cyanation of tertiary amines with sodium cyanide using vanadium based systems as catalysts
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The first report on the use of vanadium-based catalysts for oxidative cyanation of tertiary amines with molecular oxygen in the presence of sodium cyanide and acetic acid to afford the corresponding α-aminonitriles in good to excellent yields is described
- Singhal, Sweety,Jain, Suman L.,Sain, Bir
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Read Online
- 1-Cyano-3-(1H)-1,2-benziodoxols: Stable Cyanoiodinanes and Efficient Reagents for Direct N-Alkyl Cyanation of N,N-Dialkylarylamines.
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Cyanobenziodoxol 2 and 4 can be prepared from benziodoxols 1 or 3 and cyanotrimethylsilane in the form of stable, crystaline compounds Cyanobenziodoxol 2 reacts with N,N-dimethylarylamines under mild conditions to afford N-(cyanomethyl)-N-methylarylamines 6 in excellent yields.
- Zhdankin, Viktor V.,Kuehl, Chris J.,Krasutsky, Alexei P.,Bolz, Jason T.,Mismash, Brian,et al.
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Read Online
- Acetone cyanohydrin: A convenient alternative of toxic sodium cyanide/acetic acid for oxidative cyanation of tertiary amines
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Acetone cyanohydrin was found to be a facile, convenient and comparatively safer alternative to toxic sodium cyanide/acetic acid system for generating in situ HCN for the oxidative cyanation of tertiary amines to α-aminonitriles in high yields with hydrog
- Verma, Sanny,Jain, Suman L.,Sain, Bir
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Read Online
- Iron-Catalyzed α-C-H Cyanation of Simple and Complex Tertiary Amines
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This manuscript details the development of a general and mild protocol for the α-C-H cyanation of tertiary amines and its application in late-stage functionalization. Suitable substrates include tertiary aliphatic, benzylic, and aniline-type substrates and complex substrates. Functional groups tolerated under the reaction conditions include various heterocycles and ketones, amides, olefins, and alkynes. This broad substrate scope is remarkable, as comparable reaction protocols for α-C-H cyanation frequently occur via free radical mechanisms and are thus fundamentally limited in their functional group tolerance. In contrast, the presented catalyst system tolerates functional groups that typically react with free radicals, suggesting an alternative reaction pathway. All components of the described catalyst system are readily available, allowing implementation of the presented methodology without the need for lengthy catalyst synthesis.
- Yilmaz, Ozgur,Dengiz, Cagatay,Emmert, Marion H.
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supporting information
p. 2489 - 2498
(2021/02/06)
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- Iron-catalyzed reductive strecker reaction
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Strecker reaction is widely applied for the synthesis of amino acids from aldehydes, amines and cyanides. Herein, we report the FeI2-catalyzed reductive Strecker type reaction of formamides instead of aldehydes to produce amino acetonitriles. The challenging capture of carbinolamine intermediates by CN? was achieved via Fe catalysis. This approach afforded better yields than the use of Ir- or Rh-catalysts. The application ability of this methodology is demonstrated by 1) one-pot construction of (13C labeled) complex molecules from CO2 via amino acetonitrile intermediates and 2) convenient production of homologated carboxylic acids from aldehydes.
- Yan, Fachao,Huang, Zijun,Du, Chen-Xia,Bai, Jian-Fei,Li, Yuehui
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p. 188 - 194
(2021/02/03)
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- Nano cobalt-copper ferrite catalyzed regioselective α-C(sp3)–H cyanation of amines: Secondary, tertiary, and drug molecules
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Oxidative cyanation of sp3C–H bonds at the α position of amines was achieved using CoCuFe2O4 as a catalyst and NaCN as an inexpensive cyanide source at room temperature. CoCuFe2O4 was found to be an active catalyst for Csp [3]-Csp coupling, efficiently delivering valuable α-aminonitriles from tertiary/secondary amines in good yields. The corresponding products were obtained with high selectivity toward α position. In addition, functional group tolerance offered the opportunity for application in late-stage functionalization of biologically active molecules. This transformation proceeds convenient on a gram-scale, and the catalyst can be reused for several runs with consistent catalytic activity.
- Heidarian, Mahdi,Moghaddam, Firouz Matloubi,Pourkaveh, Raheleh
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- New catalytic effect of thiourea on the oxidative cyanation of N-aryltetrahydroisoquinolines
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Thiourea itself has been introduced as a mild and efficient organocatalyst for the oxidative α -cyanation of N-aryltetrahydroisoquinolines (THIQs) with trimethylsilyl cyanide (TMSCN), giving the corresponding products in good to excellent yields. Experime
- Ullah, Bakhtar,Zhou, Yuli,Chen, Jingwen,Bao, Zongbi,Yang, Yiwen,Yang, Qiwei,Ren, Qilong,Zhang, Zhiguo
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supporting information
p. 348 - 351
(2019/01/04)
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- Photoredox-Catalyzed Cα-H Cyanation of Unactivated Secondary and Tertiary Aliphatic Amines: Late-Stage Functionalization and Mechanistic Studies
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This paper describes the development and mechanistic studies of a general, high-yielding amine Cα-H cyanation protocol via photoredox catalysis. Inexpensive NaCN is employed as the cyanide source and air is the external oxidant, resulting in mild and highly functional group tolerant conditions. Notably, efficient Cα-H cyanations of secondary and tertiary aliphatic amines and of complex, biologically active compounds (drugs) can be performed using the established methodology. Mechanistic studies suggest that the carboxylic acid additive has three effects: formation of a stabilizing hemiaminal intermediate, prevention of catalyst decomposition by protonating the substrate, and modulation of fluorescence quenching of the photoexcited catalyst species.
- Yilmaz, Ozgur,Oderinde, Martins S.,Emmert, Marion H.
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supporting information
p. 11089 - 11100
(2018/09/12)
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- Seven-coordinated chiral uranyl(VI) salen complex as effective catalyst for C–H bond activation of dialkylanilines under visible light
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A new chiral uranyl(VI) complex incorporating a tetradentate salen ligand is reported. The synthesized uranyl complex is studied by microanalyses, spectroscopic and X-ray diffraction studies. The structural studies reveal a slightly distorted pentagonal bipyramid coordination environment around uranyl ion. Interestingly, the uranyl complex was found to be potential visible light active catalyst for C–H bond functionalization of dialkylanilines, and afforded moderate to excellent yield of corresponding α-aminonitriles when exposed to visible light for 8?h in the presence of NaCN and acetic acid as cyanide source, and H2O2as oxidant.
- Azam, Mohammad,Al-Resayes, Saud I.,Trzesowska-Kruszynska, Agata,Kruszynski, Rafal,Kumar, Pawan,Jain, Suman L.
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p. 177 - 183
(2017/01/28)
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- A highly efficient heterogeneous ruthenium-catalysed oxidative α-cyanation of tertiary amines leading to α-aminonitriles
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Oxidative α-cyanation of tertiary amines was achieved by using an MCM-41-immobilised N-alkylethylenediamine ruthenium(III) complex (MCM-41-2N-RuCl3) as catalyst in MeOH at 60 oC in the presence of H2O2 as oxidant and NaCN
- Wang, Xiaoming,Xiao, Ruian,Ai, Jingting,Cai, Mingzhong
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p. 576 - 580
(2017/11/14)
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- Method for synthesizing alpha-aminonitrile by adopting AIBN as individual cyan source
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The invention relates to a method for synthesizing alpha-aminonitrile by adopting AIBN as an individual cyan source. The method comprises the following steps: adding tertiary amine into a container, sequentially adding 2,2'-azodiisobutyronitrile (AIBN), p
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Paragraph 0018-0020; 0022
(2017/09/01)
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- Synthesis of α-aminonitriles via a FeSO4-mediated oxidative cyanation of tertiary amines with benzoyl cyanide and molecular oxygen or TBHP
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An iron-mediated oxidative cyanation of tertiary amines with benzoyl cyanide and molecular oxygen or TBHP has been achieved. This reaction furnished α-cyanated tertiary amines under mild reaction conditions in good to excellent yields (up to 94%) with gre
- Zhang, Lianpeng,Gu, Xin,Lu, Ping,Wang, Yanguang
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p. 2359 - 2363
(2016/04/19)
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- Preparation method for alpha-cyanoamine
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The invention discloses a preparation method for alpha-cyanoamine. According to the method, the product alpha-cyanoamine is prepared through nucleophilic substitution in a mixed solvent in the presence of an oxidizing agent with an amine compound and cyanoacetic acid as reactants, iodide as a catalyst and sodium acetate as alkali. The catalyst used in the method has high reactivity; reaction conditions are mild; the application scope of a substrate is wide; post-treatment is convenient; the yield of the target product is high; preparation process is simple, green and environment-friendly; and used raw materials are widely available.
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Paragraph 0076; 0077
(2016/10/07)
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- Highly efficient and recyclable magnetic nanoparticles-supported gold(III)-bipy catalyst for oxidative α-cyanation of tertiary amines
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Oxidative α-cyanation of tertiary amines with trimethylsilyl cyanide was achieved by using a magnetic nanoparticles-supported gold(III)-bipy complex as catalyst to afford the corresponding α-aminonitriles in good to excellent yields in the presence of ter
- Yang, Weisen,Wei, Li,Yi, Feiyan,Cai, Mingzhong
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p. 4059 - 4067
(2016/07/06)
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- Cyanoacetic Acid as a Masked Electrophile: Transition-Metal-Free Cyanomethylation of Amines and Carboxylic Acids
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Using cyanoacetic acid as a masked electrophile, a new cyanomethylation reaction of amines and carboxylic acids was developed, producing a variety of α-aminonitriles and cyanomethyl esters with good yields and excellent functionality tolerance. This protocol features simple manipulation, inexpensive reagents, and a wide substrate scope. Iodoacetonitrile was generated in situ from the iodination-decarboxylation of cyanoacetic acid in this transformation.
- Wang, Hongxiang,Shao, Ying,Zheng, Hao,Wang, Hanghang,Cheng, Jiang,Wan, Xiaobing
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supporting information
p. 18333 - 18337
(2015/12/24)
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- Potassium thiocyanate as source of cyanide for the oxidative α-cyanation of tertiary amines
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Oxidation at the sulfur of the safe-to-handle potassium thiocyanate releases cyanide units that are trapped in the presence of co-oxidized tertiary amines to form α-amino nitriles. These cyanations work in aqueous solutions and do not require a catalyst,
- Wagner, Alexander,Ofial, Armin R.
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p. 2848 - 2854
(2015/03/18)
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- Magnetically recyclable iron oxide nanoparticles for the α-cyanation of amines under acid-free conditions and the formal synthesis of praziquantel
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A sustainable protocol for the α-cyanation of amines has been developed using cheap and affordable iron oxide nanoparticles under acid free conditions with an easy-to-handle, user-friendly cyanide source, ethyl cyanoformate. The magnetic property of the i
- Patil, Mahendra,Kapdi, Anant R.,Kumar, A. Vijay
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p. 54505 - 54509
(2015/06/30)
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- Magnetic graphitic carbon nitride: Its application in the C-H activation of amines
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Magnetic graphitic carbon nitride, Fe@g-C3N4, has been synthesized by adorning a graphitic carbon nitride (g-C3N4) support with iron oxide via non-covalent interaction. The magnetically recyclable catalyst showed excellent reactivity for the expeditious C-H activation and cyanation of amines.
- Verma, Sanny,Nasir Baig,Han, Changseok,Nadagouda, Mallikarjuna N.,Varma, Rajender S.
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supporting information
p. 15554 - 15557
(2015/10/28)
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- Potassium ion cationized polyether cyanide [K+{PEG}CN-] as a novel cyanide source for oxidative cyanation of tertiary amines
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Potassium ions cationized polyether cyanide [K+{PEG}CN-] was readily synthesized by mixing potassium cyanide and PEG400 at room temperature and used as a cost effective and comparatively safer alternative to the toxic sodium cyanide/acetic acid system for generating in situ HCN for the oxidative cyanation of tertiary amines with hydrogen peroxide using RuCl3 as catalyst. This method affords a facile approach to the synthesis of α-aminonitriles in high yields under solvent-free and acid-free reaction conditions.
- Panwar, Vineeta,Ray, Siddharth S.,Jain, Suman L.
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p. 4184 - 4186
(2015/06/22)
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- A TiO2 immobilized Ru(ii) polyazine complex: A visible-light active photoredox catalyst for oxidative cyanation of tertiary amines
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A chemically functionalized nanocrystalline TiO2 grafted ruthenium(ii) polyazine complex was found to be an efficient visible light photoredox catalyst for the oxidative cyanation of tertiary amines to the corresponding α-aminonitriles in high to excellent yields, using molecular oxygen as an oxidant and sodium cyanide in acetic acid as a cyanide source. The developed photoredox catalyst could be easily recovered by simple filtration and reused for several runs with consistent catalytic activity.
- Kumar, Pawan,Varma, Sanny,Jain, Suman L.
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p. 4514 - 4519
(2014/03/21)
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- Nucleophilic attack of α-aminoalkyl radicals on carbon-nitrogen triple bonds to construct α-amino nitriles: An experimental and computational study
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A new reactivity pattern of α-aminoalkyl radicals, involving nucleophilic attack on Ci£N triple bonds under thermal conditions, has been developed to construct α-amino nitriles. In contrast to previous C-H functionalization of tertiary amines involving α-aminoalkyl radicals, this methodology does not require the use of photocatalytic conditions or a transition-metal catalyst. Inexpensive and nontoxic phenylacetonitrile was chosen as cyano source for this α-aminonitrile forming reaction. A plausible mechanism is proposed based upon experimental and computational results. An α-aminoalkyl radical intermediate and benzoyl cyanide have been shown to be key intermediates in this Copyright
- Zhang, Chao,Liu, Chunmei,Shao, Ying,Bao, Xiaoguang,Wan, Xiaobing
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p. 17917 - 17925
(2014/01/17)
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- Rhenium-catalyzed oxidative cyanation of tertiary amines with TMSCN
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Oxidative cyanation of sp3 C-H bonds at the α position of tertiary amines by using TMSCN as the cyanide donor and a novel high-valent rhenium(V) complex was developed. The reaction offers the corresponding α-aminonitriles in good yields with tert-butyl hydroperoxide as the oxidant under mild and acid-free reaction conditions. Oxidative cyanation of sp3 C-H bonds at the α position of tertiary amines by using TMSCN as the cyanide donor and novel high-valent rhenium(V) complex catalysts is developed. The reactions offer the corresponding α-aminonitriles in good yields by using tert-butyl hydroperoxide as the oxidant under mild and acid-free reaction conditions at room temperature. Copyright
- Lin, Aijun,Peng, Hao,Abdukader, Ablimit,Zhu, Chengjian
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p. 7286 - 7290
(2013/11/19)
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- Cobalt-Catalyzed oxidative α-cyanation of tertiary aromatic amines with trimethylsilyl cyanide and tert -butyl hydroperoxide
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In this Letter is described that a cobalt(II)-tert-butyl hydroperoxide oxidizing system was used to catalyze the α-cyanation of aromatic tertiary amines in the presence of trimethylsilyl cyanide to produce the corresponding α-aminonitriles in good yields. Georg Thieme Verlag Stuttgart. New York.
- Sakai, Norio,Mutsuro, Akihiro,Ikeda, Reiko,Konakahara, Takeo
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p. 1283 - 1285
(2013/07/19)
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- Iron-catalyzed generation of α-amino nitriles from tertiary amines
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The use of iron(II) chloride as catalyst, trimethylsilyl cyanide as source of cyanide ions, and tert-butyl hydroperoxide as oxidant enabled the conversion of aromatic, benzylic, and aliphatic tertiary amines into α-Amino nitriles under mild conditions. Chemoselective functionalization of N-CH3 to N-CH2CN was achieved in the presence of Nbenzyl and N-alkyl groups. N,N-Dialkylanilines, PhNR2, with R=Et, Bu, Bn furnished the alkyl-(aryl)aminoacetonitriles PhN(R)CH2CN as the main products accompanied by α-Amino nitriles generated by ordinary a-cyanation of the aniline PhNR2. Formation of PhN(R)CH2CN was rationalized by oxidative degradation of N,N-dialkylanilines to N-alkylanilines, their condensation with formaldehyde, generated by oxidation of the solvent methanol, and final trapping of the thus formed iminium ions by cyanide.
- Wagner, Alexander,Han, Wei,Mayer, Peter,Ofial, Armin R.
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supporting information
p. 3058 - 3070
(2014/03/21)
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- Ruthenium complexes with an anthyridine-based ligand. Synthesis, characterization and catalytic activity
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Complexation of 2, 7-bis(2-pyridinyl)-9-phenylanthyridine (4) with [RuCl2(CO)3(THF)] and [(η6-p-cy-mene) RuCl2]2 provided the mono-nuclear complex [(4)Ru(CO) 3Cl][RuCl3(CO)3
- Lo, Ying-Hao,Liu, Yi-Hung,Peng, Shie-Ming,Liu, Shiuh-Tzung
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p. 839 - 845
(2013/11/06)
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- Iron nanoparticles supported on graphene oxide: A robust, magnetically separable heterogeneous catalyst for the oxidative cyanation of tertiary amines
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Well-dispersed iron nanoparticles supported on chemically derived graphene oxide containing uniform distribution of iron nanoparticles (FeNPs) throughout the surface was synthesized and was used as a heterogeneous catalyst for oxidative cyanation of tertiary amines to the corresponding α- aminonitriles in high to excellent yields using hydrogen peroxide with sodium cyanide in acetic acid. After the reaction the catalyst could easily be separated by the influence of an external magnet and reused for several runs without any significant change in the catalytic activity and without leaching of the metal during the reaction. Copyright
- Verma, Deepak,Verma, Sanny,Sinha, Anil K.,Jain, Suman L.
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p. 860 - 865
(2013/09/02)
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- A ruthenium-carbamato-complex derived from a siloxylated amine and carbon dioxide for the oxidative α-cyanation of aromatic and cyclic tertiary amines
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The ruthenium carbamate complex derived from 3-trimethoxysilyl-1-propyl amine and carbon dioxide was found to be a novel catalyst for the oxidative cyanation of aromatic and cyclic tertiary amines to corresponding α-amino nitriles in high to excellent yields by using hydrogen peroxide and molecular oxygen as enviro-economic oxidants. The developed protocol suggested an efficient alternative for recycling carbon dioxide.
- Kumar, Subodh,Kumar, Pawan,Jain, Suman L.
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p. 24013 - 24016
(2013/11/19)
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- Azobisisobutyronitrile initiated aerobic oxidative transformation of amines: Coupling of primary amines and cyanation of tertiary amines
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In the presence of a catalytic amount of radical initiator AIBN, primary amines are oxidatively coupled to imines and tertiary amines are cyanated to α-aminonitriles. These "metal-free" aerobic oxidative coupling reactions may find applications in a wide
- Liu, Lianghui,Wang, Zikuan,Fu, Xuefeng,Yan, Chun-Hua
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supporting information
p. 5692 - 5695
(2013/01/15)
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- Gold-complexes catalyzed oxidative α-cyanation of tertiary amines
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Oxidative α-cyanation of tertiary amines is catalyzed by gold complexes with trimethylsilyl cyanide to afford the corresponding α-aminonitriles in the presence of tert-butyl hydroperoxide in good to excellent yields under acid-free conditions at room temp
- Zhang, Yan,Peng, Hao,Zhang, Ming,Cheng, Yixiang,Zhu, Chengjian
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supporting information; experimental part
p. 2354 - 2356
(2011/04/15)
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- Heterogeneously catalyzed oxidative cyanation of tertiary amines with sodium cyanide/hydrogen peroxide using polymer-supported iron(II) phthalocyanines as catalyst
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The first report on heterogeneously catalyzed oxidative cyanation of various tertiary amines to the corresponding a-amino nitriles with high yields and selectivity by using hydrogen peroxide oxidant in presence of sodium cyanide and Fe(II) phthalocyanine supported on a polymer as catalyst is described. The present method has the added benefits of facile recovery of the catalyst from the reaction mixture and its subsequent use without further activation. Consistent catalytic activity with no metal leaching was observed during this course.
- Singhal, Sweety,Jain, Suman L.,Sain, Bir
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experimental part
p. 1338 - 1344
(2010/08/19)
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- Iron catalyzed oxidative cyanation of tertiary amines
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Iron(ii) and iron(iii) salts catalyze the oxidative α-cyanation of tertiary amines by trimethylsilyl cyanide in the presence of tert-butylhydroperoxide under acid-free conditions at room temperature.
- Han, Wei,Ofial, Armin R.
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supporting information; experimental part
p. 5024 - 5026
(2010/01/06)
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- Ruthenium-catalyzed oxidative cyanation of tertiary amines with molecular oxygen or hydrogen peroxide and sodium cyanide: Sp3 C-H bond activation and carbon-carbon bond formation
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Ruthenium-catalyzed oxidative cyanation of tertiary amines with molecular oxygen in the presence of sodium cyanide and acetic acid gives the corresponding α-aminonitriles, which are highly useful intermediates for organic synthesis. The reaction is the first demonstration of direct sp3 C-H bond activation α to nitrogen followed by carbon-carbon bond formation under aerobic oxidation conditions. The catalytic oxidation seems to proceed by (i) α-C-H activation of tertiary amines by the ruthenium catalyst to give an iminium ion/ruthenium hydride intermediate, (ii) reaction with molecular oxygen to give an iminium ion/ruthenium hydroperoxide, (iii) reaction with HCN to give the α-aminonitrile product, H2O2, and Ru species, (iv) generation of oxoruthenium species from the reaction of Ru species with H2O2, and (v) reaction of oxoruthenium species with tertiary amines to give α-aminonitriles. On the basis of the last two pathways, a new type of ruthenium-catalyzed oxidative cyanation of tertiary amines with H2O2 to give α-aminonitriles was established. The α-aminonitriles thus obtained can be readily converted to α-amino acids, diamines, and various nitrogen-containing heterocyclic compounds.
- Murahashi, Shun-Ichi,Nakae, Takahiro,Terai, Hiroyuki,Komiya, Naruyoshi
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scheme or table
p. 11005 - 11012
(2009/02/05)
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- PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS
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The present invention relates to pyrrole and pyrazole compounds of formula (I) and their pharmaceutically acceptable salts, and further relates to their use in treating schizophrenia, cognitive deficits associated with schizophrenia, Alzheimer's disease, dementia of the Alzheimer's type, mild cognitive impairment, or depression. The compounds act as potentiators on glutamate receptors, in particular AMPA and the GluR family.
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Page/Page column 103
(2008/06/13)
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- Ruthenium-catalyzed oxidative cyanation of tertiary amines with hydrogen peroxide and sodium cyanide
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(Chemical Equation Presented) Versatile intermediates for the synthesis of N-aryl-α-amino acids and N,N-disubstituted 1,2-diamines can now be synthesized with high efficiency by the ruthenium-catalyzed oxidative cyanation of tertiary amines. The use of hy
- Murahashi, Shun-Ichi,Komiya, Naruyoshi,Terai, Hiroyuki
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p. 6931 - 6933
(2007/10/03)
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- Aerobic Ruthenium-Catalyzed Oxidative Cyanation of Tertiary Amines with Sodium Cyanide
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RuCl3-catalyzed oxidative cyanation of tertiary amines with sodium cyanide under molecular oxygen (1 atm) at 60 °C gives the corresponding α-aminonitriles, which are versatile synthetic intermediates of various compounds such as amino acids and
- Murahashi, Shun-Ichi,Komiya, Naruyoshi,Terai, Hiroyuki,Nakae, Takahiro
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p. 15312 - 15313
(2007/10/03)
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- Method for producing an alpha-aminonitrile from a tertiary anime and a cyanide through oxidation with oxygen by using a transition metal catalyst
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A method for producing an α-aminonitrile, is disclosed, which method includes the step of oxidizing a tertiary amine with oxygen by using a transition metal catalyst in the presence of a cyanide. The α-aminonitrile thus obtained can be easily converted to amino acids as well as various nitrogen-containing physiologically active materials.
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- Solution and Solid-State Photochemistry of 2-Anilino-5-phenyl-2,4-pentadienenitriles
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2-(N-Methylanilino)-5-phenyl-2,4-pentadienenitrile (3) undergoes either isomerization or oxidative cleavage at the 2,3-double bond upon irradiation in solution, whereas it dimerizes in a regiospecific manner to give the cycloaddition product 12 upon irradiation in the solid state.From the fluorescence spectra and semiempirical calculations, the excited state of 3 is proposed to be a twist intramolecular charge transfer species.The X-ray analysis indicates that molecules of 3b orient appropriately with a reasonable distance for the cycloaddition in the solid state.The distance between C2 and C3' is 525 pm, the longest distance known in solid-state cycloadditions. 2-(N-Methyl-p-bromoanilino)-5-phenyl-2,4-pentadienenitrile (4) shows behavior similar to that of 3 in the solution and solid-state photochemistry, whereas analogs 7-10 having nitro substituents on the 5-phenyl rings do not dimerize upon irradiation in the solid state.Semiempirical calculation of the electronic structures is used to interprete the discrepancy of reactivity.
- Liang, Yah-Long,Fang, Jim-Min,Chow, Tahsin,Ho, Tong-Ing,Lee, Chi-Rung,Wang, Yu
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p. 5742 - 5747
(2007/10/02)
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