Facile Synthesis and Crystal Structure of a Novel Cyanopyridine

作     者：杨晓慧 刘承果 周永红 崔竞方 林小羽 

作者机构：Institute of Chemical Industry of Forestry ProductsCAF National Engineering Lab.for Biomass Chemical Utilization Key and Lab.on Forest Chemical EngineeringSFA Key Lab.of Biomass Energy and Material 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2011年第30卷第7期

页      面：1011-1015页

核心收录：

学科分类：07[理学] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：supported by the President of the ChineseAcademy of Forestry Foundation (CAFYBB2008009) 

主　　题：cyanopyridine synthesis crystal structure multi-component reactions 

摘      要：The title compound 2-amino-4-（4-hydroxy-3,5-dimethoxyphenyl）-5-methyl-6- phenyl nicotinonitrile, C21H19N3O3, was synthesized via four-component reactions between propiophenone, malononitrile, syringaldehyde and ammonium acetate in ethanol under reflux without catalyst and characterized by IR, 1H NMR, 13C NMR, MS, EA and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis shows that the compound is of monoclinic system, space group P21/n with a = 8.4600（17）, b = 17.139（3）, c = 13.408（3） A, β= 107.06（3）°, V= 1858.6（6） A3, Z = 4, Mr = 361.39, F（000） = 760, μ（MoKa） = 0.088 mm^-1 Dc = 1.292 g/cm3, 2 = 0.71073 A, the final R = 0.0751 and wR = 0.0938 for 3333 observed reflections with I〉 2σ（I）. The crystal packing of the title compound is stabilized by intermolecular hydrogen bonds.