A novel synthetic route for the preparation of cyclohexane skeleton 3 was developed via the one-pot domino Claisen–Schmidt condensation reaction/Michael addition/double aldol reaction of 1 equiv of functionalized arylaldehyde 1 with 3 equiv of 2-acetylpyridine (2a).
The molecular geometries, FT-IR and Raman spectra of 2-acetylpyridine were studied using Density functional theory (DFT-B3LYP) with the large basis sets. Theoretical calculations indicate the cis conformer of 2-acetylpyridine is most stable though this conformation was seldom found in the crysta...
This study deals with the identification of a title compound, 2,6-dimethyl-4-nitropyridine N-oxide by means of theoretical calculations. The optimized molecular structures, vibrational frequencies, corresponding vibrational assignments, thermodynamic properties and atomic charges of the title co...
A new three-nitro-group compound of 1-(2,4-dinitrophenyl)azo-1-nitrocyclohexane was prepared by the reaction of cyclohexanone-2,4-dinitrophenylhydrazine with nitric oxide at ambient temperature. The single crystal structure has been determined by a four-circle X-ray diffractometer. The compound ...
The first total synthesis of polyhydroxylated α-nitrocyclohexane carboxylic acids from sugars is reported. A salient aspect of the synthesis is an unexpected Henry-mediated racemization of this new class of highly functionalized cyclohexanes.
Metal oxides (Al2O3, SiO2, MgO)-supported Au cluster catalysts prepared by colloid deposition method and well established Au/TiO2 prepared by deposition–precipitation method were tested for the selective reduction of nitrocyclohexane into cyclohexanone oxime. The activity and selectivity depend...
A Pt catalyst has been designed to convert nitrocyclohexane into cyclohexanone oxime under mild hydrogenation conditions (4 bar of H2, 383 K, and solvent-free media). It has been found that the partial reduction of the nitro group to the oxime function is promoted by Pt nanoparticles decorated w...
We report the first continuous (gas phase) hydrogenation of nitrocyclohexane over oxide (Al2O3, TiO2, CeO2 and ZrO2) supported Au catalysts. Thermochemical analysis has established possible thermodynamic constraints and product distribution at equilibrium. The catalysts have been characterised b...
A simple and efficient approach for highly selectivity co-production of nitrocyclohexane and adipic acid from vapor phase nitration–oxidation of cyclohexane with NO2 at atmospheric pressure has been successfully developed in this work. This finding provides a novel strategy for co-production of...
The Pd/C, Pt/C, Ni/CNT and Pd/CNT catalysts were prepared by impregnation method and characterized by BET, XRD, TEM and H2 chemisorption. These catalysts were tested in the hydrogenation of nitrocyclohexane to cyclohexanone oxime. The results show that 5% Pd/CNT catalyst exhibits good performanc...
Mesoporous carbon materials (MC) were prepared by soft template, hard template and hydrothermal synthesis methods. And mesoporous carbon supported palladium catalysts were obtained from incipient impregnation method. The prepared samples were characterized by nitrogen adsorption–desorption, X-r...
The one-pot three-component reaction for the synthesis of pyrido[2,3-d]pyrimidine derivatives has been reported via initial Knoevenagel, subsequent addition and final heterocyclization of substituted aromatic aldehydes, cyanoacetamide and 6-aminouracil in N,N-dimethylformamide (DMF) solvent usin...
Centrosymmetric semiorganic crystal 4-dimethylaminopyridine potassium chloride (4-DMAPKC) has been grown successfully by using slow evaporation solution growth technique. Powder x-ray diffraction shows the 4-DMAPKC crystal has good crystalline nature. Single crystal XRD shows that the grown 4-DM...
The compound, [dmpH]2[pydc] (L) as ligand was synthesized by the proton-transfer reaction of pyridine-2,6-dicarboxylic acid (pydcH2) with 4-dimethylaminopyridine (dmap). The new coordination complexes of [dmpH]2[La2(pydc)4(H2O)4]·2H2O (1) and [dmpH]2[Ce(pydc)3]·2H2O (2) were prepared from the ...
The interactions of the electron donor 4-dimethylaminopyridine (4DMAP) with the π-acceptors tetracyanoethylene (TCNE), 7,7,8,8-tetracyanoquinodimethane (TCNQ) and 2,4,4,6-tetrabromo-2,5-cyclohexadienone (TBCHD) were studied spectrophotometrically in chloroform at room temperature. The electroni...
In this study, 4-dimethylaminopyridine (DMAP) was firstly used as a catalyst in the interfacial polymerization of pentaerythritol (PE) and trimesoyl chloride (TMC) to enhance membrane performance. A series of nanofiltration membranes were prepared using five different DMAP concentrations of 0%, ...
Studies concentrating on non-covalent weak interactions between the organic base of 4-dimethylaminopyridine, and acidic derivatives have led to an increased understanding of the role 4-dimethylaminopyridine has in binding with the organic acid derivatives. Here anhydrous and hydrous multicompone...
Xenon trioxide (XeO3), a highly shock-sensitive detonator, forms adducts with the N-bases, pyridine and 4-dimethylaminopyridine (4-DMAP). The reactions of pyridine and 4-DMAP with XeO3 in rigorously dried CH3CN and in CH3CN that had not been dried yielded (C5H5N)3XeO3 (1) and (4-(CH3)2NC5H5N)3 X...
The influence of stereochemistry and alkyl side chain length on the bioactivity of the Rho kinase inhibitor Y-27632 [(+)-1, R = Me] was examined by the synthesis of (+)- and (−)-1, and two alkyl chain analogs (+)- and (−)-2 (R = n-propyl) and (−)-3 (R = n-octyl) as well as their evaluation in en...
Fluorinated analogs that are related to the 5-hydroxytryptamine (5-HT1A) antagonist, N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)cyclohexanecarboxamide (WAY-100635), have been synthesized and their binding affinity for the 5-HT1A receptor and other neurotransmitter receptors (...
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