1-(4-chlorophenyl)-5-(4-cyanophenyl)-1H-pyrazole-3-carboxylic acid methyl ester | 1610952-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-chlorophenyl)-5-(4-cyanophenyl)-1H-pyrazole-3-carboxylic acid methyl ester
• 英文别名: Methyl 1-(4-chlorophenyl)-5-(4-cyanophenyl)pyrazole-3-carboxylate；methyl 1-(4-chlorophenyl)-5-(4-cyanophenyl)pyrazole-3-carboxylate
• CAS: 1610952-58-3
• 化学式: C₁₈H₁₂ClN₃O₂
• 分子量: 337.765
• InChiKey: NOLANUXXMRALTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  67.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 p-chlorobenzenediazonium tetrafluoroborate 在 cobalt(II) acetate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 以82%的产率得到1-(4-chlorophenyl)-5-(4-cyanophenyl)-1H-pyrazole-3-carboxylic acid methyl ester
  参考文献：
  名称：

  When Aryldiazonium Salts Meet Vinyl Diazoacetates: A Cobalt-Catalyzed Regiospecific Synthesis of N-Arylpyrazoles

  摘要：

  A cobalt-catalyzed C-N bond formation between aryl diazonium salts and vinyl diazoacetates has been developed under relatively mild conditions. The N-arylpyrazoles have been prepared in moderate to high yields in a regiospecific way.

  DOI：

  10.1021/ol5012339

文献信息

• When Aryldiazonium Salts Meet Vinyl Diazoacetates: A Cobalt-Catalyzed Regiospecific Synthesis of <i>N</i>-Arylpyrazoles
  作者：Haiheng Guo、Daming Zhang、Chenghao Zhu、Jian Li、Guangyang Xu、Jiangtao Sun

  DOI：10.1021/ol5012339

  日期：2014.6.6

  A cobalt-catalyzed C-N bond formation between aryl diazonium salts and vinyl diazoacetates has been developed under relatively mild conditions. The N-arylpyrazoles have been prepared in moderate to high yields in a regiospecific way.