| Synthesis and Crystal Structure of Dimethyl-3-（4-bromophenyl）-1-phenyl-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate |
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| 引用本文： | 李明,潘磊,文丽荣.Synthesis and Crystal Structure of Dimethyl-3-（4-bromophenyl）-1-phenyl-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate[J].结构化学,2010,29(4):495-498. |
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| 作者姓名： | 李明 潘磊 文丽荣 |
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| 作者单位： | Laboratory;Eco-chemical;Engineering;Ministry;Education;College;Chemistry;Molecular;Qingdao;University;Science;Technology; |
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| 基金项目： | Supported by the National Natural Science Foundation of China (No. 20872074);;Natural Science Foundation of Shandong Province (Y2006B11 and Z2008B03) |
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| 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).
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| 关 键 词： | 结构测定 碳酸二甲酯 晶体 合成 溴苯 二羧酸 苯基 二氢 |
Synthesis and Crystal Structure of Dimethyl-3-(4-bromophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate |
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| LI Ming PAN Lei WEN Li-Rong.Synthesis and Crystal Structure of Dimethyl-3-(4-bromophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate[J].Chinese Journal of Structural Chemistry,2010,29(4):495-498. |
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| Authors: | LI Ming PAN Lei WEN Li-Rong |
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| Institution: | Key Laboratory of Eco-chemical Engineering;Ministry of Education;College of Chemistry and Molecular Engineering;Qingdao University of Science and Technology;Qingdao 266042;China |
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| Abstract: | T The title compound (C_(19)H_(17)BrN_2O_4) was synthesized via a one-pot procedure starting from 4-bromobenzaldehyde, dimethyl acetylenedicarboxylate (DMAD) and phenylhy-drazine with pyridine as the catalyst. Its structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to the monoelinic system, space group P2_1/c with a = 11.115(3), b =8.090(2), c = 20.211(5) (A), β = 97.032(5)°, V= 1803.7(8) (A)~3, Z= 4, M_r= 417.25, D_c= 1.536 g/cm~3,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). |
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| Keywords: | DMAD zwitterion pyrazole MCRs crystal structure |
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