Synthesis and Crystal Structure of Dimethyl-3-(4-bromophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate  

作　　者：李明 潘磊 文丽荣 

机构地区：[1]Key Laboratory of Eco-chemical Engineering,Ministry of Education,College of Chemistry and Molecular Engineering,Qingdao University of Science and Technology

出　　处：《Chinese Journal of Structural Chemistry》2010年第4期495-498,共4页结构化学（英文）

基　　金：Supported by the National Natural Science Foundation of China (No. 20872074);Natural Science Foundation of Shandong Province (Y2006B11 and Z2008B03)

摘　　要：The title compound （C19H17BrN2O4） was synthesized via a one-pot procedure starting from 4-bromobenzaldehyde, dimethyl acetylenedicarboxylate （DMAD） and phenylhydrazine with pyridine as the catalyst. Its structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c with a = 11.115（3）, b = 8.090（2）, c = 20.211（5） , β = 97.032（5）°, V = 1803.7（8） 3, Z = 4, Mr = 417.25, Dc = 1.536 g/cm3, μ = 2.306 mm-1, F（000） = 852, the final R = 0.0403 and wR = 0.0895 for 2215 observed reflections with I 2σ（I）.The title compound （C19H17BrN2O4） was synthesized via a one-pot procedure starting from 4-bromobenzaldehyde, dimethyl acetylenedicarboxylate （DMAD） and phenylhydrazine with pyridine as the catalyst. Its structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c with a = 11.115（3）, b = 8.090（2）, c = 20.211（5） , β = 97.032（5）°, V = 1803.7（8） 3, Z = 4, Mr = 417.25, Dc = 1.536 g/cm3, μ = 2.306 mm-1, F（000） = 852, the final R = 0.0403 and wR = 0.0895 for 2215 observed reflections with I 2σ（I）.

关 键 词：DMAD ZWITTERION PYRAZOLE MCRS crystal structure 

分 类 号：O626.21[理学—有机化学]