Synthesis and Crystal Structure of(S)-N-(hexahydro-2-oxo-1H-azepin-3-yl)-3-phenyl-2-propenamide  

作　　者：李小林 方正 张峰 曾文波 郭凯 

机构地区：[1]School of Pharmaceutical Sciences, Nanjing University of Technology [2]College of Biotechnology and Pharmaceutical Engineering,Nanjing University of Technology

出　　处：《Chinese Journal of Structural Chemistry》2014年第6期851-854,共4页结构化学（英文）

基　　金：Supported by the National Key Basic Research Program of China(973 Program)(2012CB725204 and 2012CB721104);the Natural Science Foundation of Jiangsu Province(No.BK20130913);Program for Changjiang Scholars and Innovative Research Team in University(No.IRT1066);the Priority Academic Program Development of Jiangsu Higher Education Institution

摘　　要：The title compound（S）-N-（hexahydro-2-oxo-1H-azepin-3-yl）-3-phenyl-2-propenamide（C15H18N2O2, Mr = 258.31） was synthesized by the reaction of（S）-α-amino-ε-caprolactam with 3-phenyl-2- propenoyl chloride. Its chemical structure was determined by 1H NMR, 13C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 14.957（3）, b = 4.884（1）, c = 18.630（4）, β = 95.91（3）o, V = 1353.7（5）3, Z = 4, Dc = 1.267 g/cm^3, μ = 0.085 mm-1, F（000） = 552, R = 0.0671 and wR = 0.1547 for 2473 observed reflections with I 〉 2σ（I）.The title compound（S）-N-（hexahydro-2-oxo-1H-azepin-3-yl）-3-phenyl-2-propenamide（C15H18N2O2, Mr = 258.31） was synthesized by the reaction of（S）-α-amino-ε-caprolactam with 3-phenyl-2- propenoyl chloride. Its chemical structure was determined by 1H NMR, 13C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 14.957（3）, b = 4.884（1）, c = 18.630（4）, β = 95.91（3）o, V = 1353.7（5）3, Z = 4, Dc = 1.267 g/cm^3, μ = 0.085 mm-1, F（000） = 552, R = 0.0671 and wR = 0.1547 for 2473 observed reflections with I 〉 2σ（I）.

关 键 词：synthesis propenamide CAPROLACTAM crystal structure 

分 类 号：O621.3[理学—有机化学] O741.6[理学—化学]