- A single isocyanate preparation method and system (by machine translation)
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The invention relates to a single-isocyanate preparation method and system, the method using an excess of phosgene with the corresponding [...] phosgenation reaction, the obtained reaction solution through the mentioned after the hydrogen chloride escapes the carbonyl chloride, phosgene with the isocyanate to realize the complete separation of, excess phosgene can achieve the goal of recycling. In the phosgene escapes after cracking of the reaction liquid obtained by the pyrolysis gas inert solvent for [...], obtaining the corresponding isocyanate solution, follow-up separation can obtain the qualified isocyanate. The method for preparing the single isocyanate process with high yield and low solid the characteristics of the product waste. (by machine translation)
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Paragraph 0073; 0074; 0075; 0076; 0084
(2018/06/15)
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- SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF
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Compositions comprising Silane functionalized compounds are provided. In one embodiment, the silane functionalized compounds include an epoxy resin derived backbone having silane functional groups pendant to the backbone or serving as end caps. The compositions comprising silane functionalized compounds may be utilized in a variety of applications including in coating formulations, adhesive formulations, composite materials, and combinations thereof.
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- Matrix-IR spectroscopic investigations of the thermolysis and photolysis of diazoamides
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Matrix photolysis of N,N-dialkyldiazoacetamides 1a-d at 7-10 K results in either the formation of C-H insertion products (in case of N,N-dimethyl and N,N-diethyl diazoamides) or almost exclusive Wolff rearrangement to ketenes (in the case of the cyclic di
- Wentrup, Curt,Bibas, Herve,Kuhn, Arvid,Mitschke, Ullrich,McMills, Mark C.
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p. 10705 - 10717
(2013/11/19)
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- Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors
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A number of 1,2-benzisothiazol-3-one derivatives were prepared through structural modification of the original compound from high-throughput screening. Some analogues (e.g., 6b, 6r, 6s and 6w) were identified as novel and potent caspase inhibitors with IC50 of nanomolar. Structure-activity relationship (SAR) studies for caspase-3 inhibition were evaluated in vitro. Molecular modeling studies provided further insight into the interaction of this class of compounds with activated caspase-3. The present small molecule caspase-3 inhibitor with novel structures different from structures of known caspase inhibitors revealed a new direction for therapeutic strategies directed against diseases involving abnormally up-regulated apoptosis.
- Liu, Dazhi,Tian, Zhen,Yan, Zhihui,Wu, Lixin,Ma, Yan,Wang, Quan,Liu, Wei,Zhou, Honggang,Yang, Cheng
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p. 2960 - 2967
(2013/07/28)
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- Structure-based drug design and potent anti-cancer activity of tricyclic 5:7:5-fused diimidazo[4,5-d:4′,5′-f][1,3]diazepines
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Judicial structural modifications of 5:7-fused ring-expanded nucleosides (RENs), based on molecular modeling studies with one of its known targets, human RNA helicase (hDDX3), led to the lead, novel, 5:7-5-fused tricyclic heterocycle (1). The latter exhibited promising broad-spectrum in vitro anti-cancer activity against a number of cancer cell lines screened. This paper describes our systematic, albeit limited, structure-activity relationship (SAR) studies on this lead compound, which produced a number of analogs with broad-spectrum in vitro anti-cancer activities against lung, breast, prostate, and ovarian cancer cell lines, in particular compounds 15i, 15j, 15m and 15n which showed IC 50 values in submicromolar to micromolar range, and are worthy of further explorations. The SAR data also enabled us to propose a tentative SAR model for future SAR efforts for ultimate realization of optimally active and minimally toxic anti-cancer compounds based on the diimidazo[4,5-d:4′, 5′-f][1,3]diazepine structural skeleton of the lead compound 1.
- Kondaskar, Atul,Kondaskar, Shilpi,Fishbein, James C.,Carter-Cooper, Brandon A.,Lapidus, Rena G.,Sadowska, Mariola,Edelman, Martin J.,Hosmane, Ramachandra S.
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p. 618 - 631
(2013/02/25)
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- One-pot, three-step preparation of alkyl and aryl alkylcarbamates from S-methyl N-alkylthiocarbamates
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A general procedure for the synthesis of alkyl and aryl alkylcarbamates starting from the corresponding 5-methyl N-alkylthiocarbamates is described. This procedure consists of three steps that are carried out in a one-pot fashion, without isolating the intermediate N-alkylcarbamoyl chlorides or alkyl isocyanates. All the target products were obtained in high yields (16 examples, average yield 91%). To be noted is the recovery of a co-product of industrial interest, dimethyl disulfide, in a half mole amount for each mole of thiocarbamate, with complete exploitation of the reagent. The alkyl isocyanates, if required, can also be isolated in high yields. Georg Thieme Verlag Stuttgart.
- Artuso, Emma,Degani, Iacopo,Fochi, Rita,Magistris, Claudio
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experimental part
p. 1612 - 1618
(2009/04/03)
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- Organosilicon synthesis of isocyanates: II. Synthesis of aliphatic, carbocyclic, and fatty-aromatic isocyanates
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Silylation of a series of aliphatic, carbocyclic, and fatty-aromatic amines gave the corresponding silyl derivatives whose yield depended on the electronic and steric structure of the substrate and the nature of the silylating agent. The yield of isocyanates obtained by phosgenation of the silyl derivatives under mild conditions decreased in going from aliphatic amines to benzylamines and rose as the length of the alkyl chain in fatty-aromatic amines extended. The most convenient procedure for the synthesis of low-boiling alkyl isocyanates was found to be based on the transformation of amines or ammonium salts into silyl or silyl silyl-carabamates, followed by pyrolysis of the latter in the presence of trichloro(phenyl)silane. Pleiades Publishing, Inc., 2006.
- Lebedev,Lebedeva,Sheludyakov,Ovcharuk,Kovaleva,Ustinova
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p. 469 - 477
(2008/02/07)
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- Synthesis and rheological behavior of cross-linkable poly[N-(methacryl-2-ethyl)-N′-(3-amino(1,2,4-triazole-2-yl))urea-co-methyl methacrylate]
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A copolymer poly[N-(methacryl-2-ethyl)-N′-(3-amino(1,2,4-triazole-2-yl) urea)-co-methyl methacrylate] (1) with a low Mn value of about 1300 was prepared via free radical polymerization from the corresponding monomers N-methacrylethyl-N′-triazoyl urea (2) and methyl methacrylate (3). The complex viscosity of a solution of i in N-methyl pyrrolidone decreases with increasing temperature up to 32 °C at the beginning and then passes a minimum at 38 °C. At higher temperatures of about 53 °C, it decreases again. DSC measurements of this solution indicates phase transitions because of two endothermic signals from 32 to 44 °C and from 53 to 74 °C. Furthermore, the copolymer 1 starts to cross-link rapidly above 130 °C. The mechanism of this cross-linking reaction is discussed with respect to a back-formation of isocyanate intermediate that reacts with nucleophiles.
- Gloeckner, Patrick,Osterhold, Michael,Ritter, Helmut
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p. 2050 - 2054
(2007/10/03)
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- Sulfur containing dihydrophthalazine antagonists of excitatory amino acid receptors
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Substituted dihydrophthalazine sulfur containing compositions are provided which are active as non-NMDA ionotropic excitatory amino acid (EAA) receptor antagonists. The compositions are useful for treating disorders associated with excessive activation of the non-NMDA subtype of the ionotropic EAA receptor. The compounds further are useful as testing agents to identify and characterize other compounds for the treatment of these disorders. The compounds are useful therapeutically as sedatives or for the treatment of neurosychopharmacological disorders such as stroke, ischemia and epilepsy. The compositions may be provided in combination with a suitable carrier for oral or parenteral administration. The compounds may be administered orally or parenterally for the treatment of a variety of disorders associated with non-NMDA EEA receptor function.
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- Inhibition of serine proteases: Activity of 1,3-diazetidine-2,4-diones
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The present work demonstrates that the 1,3-diazetidine-2,4-dione nucleus is effective as a scaffold of serine protease inhibitors. Compound 1 displayed high activity against human cathepsin G and α-chymotrypsin (0.39, 0.69 nM). Compound 6 exhibited 0.85 nM inhibition of human chymase. Compound 10 was a selective inhibitor against human neutrophil elastase.
- Aoyama, Yasunori,Uenaka, Masaaki,Konoike, Toshiro,Hayasaki-Kajiwara, Yoko,Naya, Noriyuki,Nakajima, Masatoshi
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p. 1691 - 1694
(2007/10/03)
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- Heterocyclic compounds having MMP and TNF inhibitory activity
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Compounds of formula (I) are useful as therapeutic agents, by virtue of having MMP and TNF inhibitory activity.
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- Cyano-containing pyrimidine derivatives and their use as herbicides
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The present invention relates to novel cyano-containing pyrimidine derivatives of the general formula (I) wherein R1represents halogen, C1 4-alkyl, C1 4-alkoxy, halogeno-C1 4-alkyl, or halogeno-C1 4-alkoxy, R2represents halogen, C1 4-alkoxy, halogeno-C1 4-alkyl, or halogeno-C1 4-alkoxy, R3represents halogen, hydroxy, or an oxo group formed together with R4 or R3represents one of the following groups represented by and-O-SO2-R6, R4represents hydrogen or an oxo group formed together with R3, R5represents hydrogen or in each case an optionally substituted or unsubstituted C1 20 -alkyl, C2 20-alkenyl, C2 20-alkynyl, C1 4-alkoxycarbonyl, C3 7-cycloalkyl, or carboxyl or phenyl, R5represents an optionally substituted or unsubstituted five- or six-membered heterocyclic ring, or an optionally substituted bicyclic group formed by condensation of a five or six-membered heterocyclic ring with phenyl, and R6represents in each case an optionally substituted or unsubstituted C1 20-alkyl, C2 20-alkenyl, C2 20-alkynyl or phenyl; to processes for their preparation and to their use as herbicides.
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- Process for preparing 1,3,5-triazinetriones
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The novel process STR1 gives the end products, known as animal growth-promoters and coccidiostatics. Intermediates II are new.
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- Process for preparing 1,3,5-triazinetriones
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The novel process STR1 gives the end products, known as animal growth-promoters and cooccidiostatics. Intermediates II are new.
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- Kinetics of the Decomposition of Aliphatic Acyl Azides
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The kinetics of the decomposition of a series of aliphatic acyl azides have been investigated.The first-order rate constants and activation parameters have been determined and the influence of the substituents and of solvent polarity on the rate of decomposition has been established.
- Zlobin, V. A.,Tarasov, A. K.
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p. 140 - 141
(2007/10/02)
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- Acylation of Heterocycles with Carbonic Acid Derivatives. VII. Synthesis of Benzimidazolo(1,3,5)thiadiazines
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Carbamoyl-, Thiocarbamoyl- und Iminocarbamoyl-benzimidazolinthione-2 sind geeignete Startverbindungen fuer die Synthese von benzokondensierten Imidazolo-1,3,5-thiadiazinen.Fuer spektroskopische Untersuchungen benoetigten wir eine vollstaendige Serie carbonylanaloger Benzimidazolo(1,3,5)thiadiazine, ueber deren Darstellung berichtet werden soll.
- Martin, D.,Tittelbach, F.,Wenzel, A.
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p. 159 - 164
(2007/10/02)
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- Preparation of aliphatic isocyanates
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Organic isocyanates are prepared by thermal decomposition of N,N'-disubstituted allophanic acid esters in an organic carbonate at from 150° to 400° C. The isocyanates obtainable by this process are valuable starting materials for the preparation of crop protection agents, pesticides, dyes, synthetic resins, plastics, textile waterproofing agents, detergents, bleaching agents and adhesives.
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- FORMATION OF ISOCYANATES BY THERMAL REACTIONS OF 4-HYDROXY-5,5-DIMETHYL-4-PHENYLOXAZOLIDONE-2 DERIVATIVES
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Thermolysis of 3N-substituted 4-hydroxy-5,5-dimethyl-4-phenyloxazolidone-2 derivatives, which were prepared by the reaction of carbon dioxide and α-bromoisobutyrophenone in the presence of primary amines, afforded corresponding isocyanates derived from 3N-substituents.
- Saito, Norio,Hatakeda, Kiyotaka,Ito, Shota,Asano, Takashi,Toda, Takashi
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p. 905 - 906
(2007/10/02)
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- ON REACTION RATE FOR HYDROLYSIS OF SUBSTITUTED CYCLIC NITROSOUREAS
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The rates for hydrolyses of 20 derivatives of N-nitrosodimethyleneurea and N-nitrosotrimethyleneurea were measured.Discussion is made on the relationship between structure and rate for hydrolysis.
- Kawazoe, Yutaka,Kato, Masanari
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p. 899 - 904
(2007/10/02)
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- Preparation of organic isocyanates
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A process for the manufacture of organic isocyanates which comprises reacting a substituted urea having at least one unsubstituted NH2 group with nitrous acid in the presence of a water-immiscible solvent and a phase transfer agent.
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- Process for the preparation of an aliphatic monoisocyanate
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This invention relates to an improved process for the preparation of an aliphatic monoisocyanate from the corresponding carbamic acid chloride. The carbamic acid chloride is reacted with an active hydrogen compound. The reaction is conducted in the presence of a solvent which is inert under the reaction conditions. Addition compounds are formed with the elimination of hydrogen chloride. The addition compounds are subsequently decomposed by heat into the desired isocyanate with the mixture also containing the active hydrogen compound. The monoisocyanate is subsequently removed by distillation.
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- Process for preparing alkyl isocyanates
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Alkylisocyanates are prepared by reacting a phenol or substituted phenol and phosgene in a halogenated hydrocarbon solvent with aqueous alkali metal hydroxide to produce a corresponding chloroformate, reacting the resulting chloroformate solution with aqueous alkylamine to give a corresponding N-alkylcarbamate which, after solvent is stripped, is then pyrolyzed to yield the alkyl isocyanate. Solvent and the starting phenol may be recovered and recycled to the process.
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- N-Heterocyclic-9-xanthenylamines
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The compounds are N-piperidinyl and pyrrolidinyl-9-xanthenylamines which are inhibitors of gastric acid secretion.
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- Optical brightening agents of naphthalimide derivatives
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A naphthalimide derivative having the formula STR1 wherein R is an alkyl, or cycloalkyl, an aralkyl, a haloalkyl, an alkoxyalkyl, a hydroxyalkyl, an N,N-dialkylaminoalkyl, an unsubstituted or halogen-, alkyl-, alkoxy- or hydroxy-substituted aryl, or an ammoniumalkyl; X is a group of the formula, STR2 wherein A is STR3 or an unsubstituted or halogen-substituted arylene, or a group of the formula, STR4 wherein R1 is hydrogen, an alkyl, phenyl, a hydroxyalkyl, or an alkoxyalkyl; Y is --CO--, --COO--, --CONR3 -- (where R3 is hydrogen or an alkyl), or --SO2 --; R2 is hydrogen, an alkyl, a cycloalkyl, an aralkyl, a haloalkyl, an alkyl- or aryl-substituted amino-alkyl, an unsubstituted or halogen-, alkyl-, alkoxy-, hydroxy-, amino- or alkylamino-substituted aryl, a group of the formula, STR5 (where R, R1 and Y are as defined above and R4 is a bivalent group), or a group of the formula, (where R5 is direct linkage or a bivalent group; Q+ is a substituted ammonium, a cycloammonium or a hydrazinium; and α- is an anion), Which is useful for optically brightening an organic polymer material.
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- Veterinary composition containing thionosalicylic acid anilides or salts thereof and methods of using the same
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New thionosalicylic acid anilides and salts with bases are provided which have parasiticidal activity in sheep and cattle particularly against adult liver flukes in sheep and cattle and other domestic animals, especially against juvenile liver flukes. The new compounds are produced by the reaction of poly-substituted phenols with substituted aromatic isothiocyanates, the hydrolysis products of oxo-thiono- or dithiono-dihydrobenzoxazines or by the reaction of N-phenyl-salicyl-imide chlorides with thio-compounds. Typical compounds are 3,5-dichloro-4'-bromo-thionosalicylic acid anilide and 2-acetoxy-3,5-dichloro-N-(2'-methyl-4'-chlorophenyl)-thionobenzamide. Novel benzoxazines obtainable from the above anilides are also provided and have similar properties. Typical compounds are 3-(3',5'-bis-trifluoromethyl-phenyl)-6,8-dibromo-2-oxo-4-thiono-dihydrobenzoxazine-(1,3), 3-(3',4'-dichlorophenyl)-6,8-dichloro-2,4-dithiono-dihydrobenzoxazine-(1,3) and 3-(4'-bromophenyl)-6-chloro-8-bromo-2,4-dithiono-dihydrobenzoxazine-(1,3). Methods for preparing a large number of both types of compounds are described. The compounds are administered orally or subcutaneously in doses of 2.5 to 100 mg/kg, preferably 5 to 15 mg/kg, of body weight.
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- PHARMACOLOGICALLY ACTIVE THIOUREA AND UREA COMPOUNDS
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The compounds are substituted thioalkyl-, aminoalkyl-and oxyalkyl-thioureas and ureas which are inhibitors of histamine activity.
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- Manufacture of alkyl isocyanates
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Aliphatic isocyanates are manufactured by thermal decomposition of aliphatic carbamic acid halides, an inert gas being passed in during the decomposition and being removed together with the hydrogen halide formed. The isocyanates which may be manufactured by the process of the invention, particularly ethyl isocyanate, n-propyl isocyanate and isopropyl isocyanate, are valuable starting materials for the manufacture of plant protection agents, pesticides, dyes, synthetic resins, plastics, hydrophobic agents for textiles, detergents, bleaches and adhesives.
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- 3-Triazolylthio derivatives of ureido cephalosporins
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Ureido cephalosporin derivatives of the formula STR1 wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, diphenyllower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion, or the group STR2 R1 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl, substituted phenyl or phenyl-lower alkyl, or certain heterocyclic groups; R2 is hydrogen or lower alkyl; R3 is hydrogen or methoxy; R4 is triazolyl or substituted triazolyl; R5 is hydrogen or lower alkyl; R6 is lower alkyl, phenyl, or phenyl-lower alkyl; are disclosed. These compounds are useful as antibacterial agents.
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- Oxopyridazinylthiomethyl derivatives of ureidocephalosporins
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Ureido cephalosporin derivatives of the formula STR1 wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, diphenyl-lower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion, or the group STR2 R1 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl, substituted phenyl or phenyl-lower alkyl, or certain heterocyclic groups; R2 is hydrogen or lower alkyl; R3 is hydrogen or methoxy; R4 is hydrogen, halogen, lower alkyl, or lower alkoxy; R5 is hydrogen or lower alkyl; R6 is lower alkyl, phenyl, or phenyl-lower alkyl; are disclosed. These compounds are useful as antibacterial agents.
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