- Crystal structure, hirshfeld surface analysis and phase transformation behaviour of diisopropylammonium chloride hemihydrate crystals
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The phase stability of the rarely studied diisopropylammonium chloride hemihydrate (DPC-HH) was investigated in a range of temperature from 100 K to 503 K. The single crystals of DPC-HH grown from methanol solution belong to orthorhombic crystal system with space group Ccca at ambient conditions (296 K) and do not show any phase transformation till 100 K upon cooling whereas it is physically less stable when stored at room temperature due to host-guest nature of the diisopropylammonium chloride (DPC) and water in the DPC-HH lattices. While heating above room temperature dehydration of the hydrate molecules occurs which leads to the crystallization of anhydrous DPC in monoclinic crystal system with space group P21 at 342 K and further at 439.7 K the DPC undergoes a ferroelectric to paraelectric phase transition through a structural transformation from monoclinic P21 to P21/m which is reversible. The Hirshfeld surface and fingerprint plots were used to study the intermolecular interactions of DPC-HH. The intermolecular H?H contacts was most significant interactions present in the crystal with over 72% of the total Hirshfeld surface. Powder X-ray diffraction, Raman and FT-IR spectroscopy, TGA and DSC techniques were employed to monitor and confirm the phase stability of DPC-HH crystals and ferro-para transformations occur in the DPC crystal system.
- Pongiappan, Sampathkumar,Karuppannan, Srinivasan
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- HERBICIDAL COMPOUNDS
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The present invention related to compounds of Formula (I) or an agronomically acceptable salt thereof, wherein Q, R2, R3, R4 and R5 are as described herein. The invention further relates to compositions comprising said compounds, to methods of controlling weeds using said compositions, and to the use of Compounds of Formula (I) as a herbicide.
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Page/Page column 28
(2021/10/22)
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- Effect of counter anions on ferroelectric properties of diisopropylammonium-cation based molecular crystals
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Diisopropylammonium cation based single crystals with different counter anions (F?, Cl?, Br?, I?, NO-3, and CIO-4) were prepared. Their crystal structures and ferroele
- Jiang, Chunli,Tong, Wen-Yi,Lin, Hechun,Luo, Chunhua,Peng, Hui,Duan, Chun-Gang
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- Nucleophilic substitution reaction at the nitrogen of arylsulfonamides with phosphide anion
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A novel nucleophilic substitution reaction at the nitrogen of arylsulfonamides by means of phosphide anions has been described. This reaction allows for the efficient transformation of arylsulfonamides into synthetically valuable phosphamides, amines, and a variety of protected amines.
- Yoshida, Suguru,Igawa, Kazunobu,Tomooka, Katsuhiko
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supporting information
p. 19358 - 19361
(2013/02/22)
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- Building blocks for phospha[n]pericyclynes
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Reaction of i-Pr2NPCl2 with acetylenic Grignard reagents resulted in the formation of new acetylenic substituted phosphorus building blocks. These building blocks can be protected by forming the corresponding W(CO)5 complex and the {double bond, long}O and {double bond, long}S derivatives for added stability as was demonstrated for aminophosphine (11a). From this building block, very sensitive product mixtures containing tetraphospha[4]pericyclynes (16) were obtained. In addition, the amino-substituent of phosphines (11) could be removed upon treatment with HCl to give chlorophosphine (18) from which novel trisethynylphosphines (19) bearing different substituted alkynes were obtained that may serve as building blocks for novel three-dimensional phospha-acetylenic scaffolds such as the (di)ethynyl-expanded phosphacubanes 8 and 25 that, according to DFT calculations, have a higher degree of cyclic electron delocalization and reduced HOMO-LUMO gaps compared to their carbon-analogues.
- van Assema, Sander G.A.,Kraikivskii, Petr B.,Zelinskii, Stanislav N.,Saraev, Vitaly V.,de Jong, G. Bas,de Kanter, Frans J.J.,Schakel, Marius,Chris Slootweg,Lammertsma, Koop
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p. 2314 - 2323
(2008/01/27)
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- ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE
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The present invention is directed to certain hydroxamate derivatives that are inhibitors of histone deacetylase and are therefore useful in the treatment of diseases associated with histone deacetylase activity. Pharmaceutical compositions and processes for preparing these compounds are also disclosed.
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Page/Page column 47
(2010/02/11)
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- POLYMERISATION CATALYSTS
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A transition metal complex having the following Formula (A): wherein the monovalent groups RI and R2 are -Ra,-ORb, -NRcRd, and -NHRe: the monovalent groups Ra, R
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- Process for producing (meth)acrylate derivatives
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A process for producing a (meth)acrylate derivative including reacting a compound of formula (1) (wherein R1 is H or CH3 ; A is C1 -C10 alkylene; and p is 1 to 10) with a chloro-dioxaphosphorus compound of formula (2) (wherein q is 0 or 1) in the presence of a secondary amine of formula (3) (wherein R2 and R3 are each C3 -C8 alkyl, cycloalkyl, C6 -C9 aryl, arylalkyl, etc.) to produce a (meth)acrylate derivative of formula (4) and further reacting the same with a tertiary amine of formula (5) (wherein R4, R5 and R6 are each C1 -C4 alkyl etc.) to provide a (meth)acrylate derivative of formula (6). STR1
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- Phosphoramidite compounds and process for production thereof
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Phosphoramidite compounds of the general formula STR1 wherein each of R1 and R2 represents a hydroxyl group having a protective group, or the group --OR4, R3 represents a hydrogen atom, a hydroxyl group having a protective group, or the group --OR4, R4 represents the group STR2 X represents a secondary amino group, R5 represents an allylic residue or a protective group capable of being split off by beta-cleavage, and BAOC represents a nucleoside base residue in which the amino or imino group is protected with an allyloxycarbonyl-type residue, with the proviso that only one of R1, R2 and R3 represents the group--OR4. The compounds can be produced by reacting a nucleoside represented by the general formula STR3 wherein each of R1 ' and R2 ' represents a hydroxyl group which may have a protective group, R3 ' represents a hydrogen atom, or a hydroxyl group which may have a protective group, and BAOC is as defined, with the proviso that only one of R1 ', R2 'and R3 ' is a hydroxyl group, with a phosphoramide compound represented by the general formula STR4 wherein X and R5 are as defined, and Y represents a secondary amino group or a halogen atom.
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- REACTIONS OF N-POLYFLUOROPHENYLCARBONIMIDOYL DICHLORIDES WITH PRIMARY AND SECONDARY AMINES. KINETICS AND MECHANISM. SYNTHESIS OF POLYFLUORINATED CABODIIMIDES, CHLOROFORMAMIDINES, GUANIDINES AND BENZIMIDAZOLES
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The reactions of N-polyfluorophenylcarbonimidoyl dichlorides with primary and secondary aliphatic and aromatic amines have been studied.With primary aliphatic amines, the reactions led to carbodiimides or guanidines, depending on the amount of amine.The carbodiimides obtained reacted with amines to form guanidines.The reactions with primary aromatic amines produced only triarylguanidines.N-Pentafluorophenylcarbonimidoyl dichloride (I) reacted with tetrafluoro-o-phenylene diamine to give 2-pentafluoroanilino-4,5,6,7-tetrafluorobenzimidazole.Polyfluorinated benzimidazole derivatives were also produced by the thermolysis of polyfluorinated triarylguanidines.Heating of N1,N2,N3-tris(pentafluorophenyl)guanidine with K2CO3 in dimethylformamide led to 1,2,3,4,7,8,9,10-octafluoro-5-pentafluorophenyl-5H-benzimidazobenzimidazole.N-Polyfluorophenylcarbonimidoyl dichlorides reacted with various secondary amines alredy at room temperature giving N-polyfluorophenylchloroformamidines in high yields.Elevated temperature and prolonged reaction time led to formation of N-polyfluorophenylguanidines.Kinetics and mechanism of the reactions of N-polyfluorophenylcarbonimidoyl dichlorides with primary and secondary amines in acetonitrile at 25 deg C have been studied.The reactions have been found to proceed by a bimolecular nucleophilic addition-elimination mechanism via a tetrahedral intermediate.Possible reasons of formation of different products in the above transformations are discussed in terms of this mechanism.
- Kolesnikova, I. V.,Petrova, T. D.,Platonov, V.E.,Mikhailov, V. A.,Popov, A. A.,Savelova, V.A.
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p. 217 - 246
(2007/10/02)
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- Synthesis and Reactivity of N-Substituted-1-amino-2-(methylsulfonyl)-3-phenyl-2-propenes
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The synthesis of 3-bromo-2-(methylsulfonyl)-1-phenyl-1-propene (1b) is described.Reaction of the allyl bromide 1b with tert-butylamine, diisopropylamine, glycine methyl ester, and piperidine in benzene solution yielded mixtures of direct substitution (SN2) and substitution-rearrangement (SN2') products, 2 and 3, respectively.The SN2:SN2' ratio ranged from 1:4 for reaction of 1b with glycine methyl ester to greater than 20:1 for the reaction with diisopropylamine.Amine hydrochloride promoted amine exchange reactions of N,N-diisopropyl-1-amino-2-(methylsulfonyl)-3-phenyl-2-propene (2a) and the amine exchange and aminotropic rearrangement reactions of the thermodynamically less stable N-tert-butyl-1-amino-2-(methylsulfonyl)-1-phenyl-2-propene (3b) are described.Evidence for acid-catalyzed aminotropic rearrangement and amine exchange reactions (3-->2) is presented.Equilibrium constants for reactions of 2a and of 2b with piperidine hydrochloride in chloroform solution were determined.
- Doomes, Earl,Overton, Belinda M.
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p. 1544 - 1548
(2007/10/02)
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