3-(2-bromophenyl)-1,4-diphenyl-1H-pyrazole-5-carboxylic acid ethyl ester | 1314185-34-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-bromophenyl)-1,4-diphenyl-1H-pyrazole-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 5-(2-bromophenyl)-2,4-diphenylpyrazole-3-carboxylate；ethyl 5-(2-bromophenyl)-2,4-diphenylpyrazole-3-carboxylate
• CAS: 1314185-34-6
• 化学式: C₂₄H₁₉BrN₂O₂
• 分子量: 447.331
• InChiKey: LONSPCPJBBQKJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  o-bromobenzoyl chloride phenylhydrazone 、 ethyl 2-azido-3-phenylacrylate 在 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以68%的产率得到3-(2-bromophenyl)-1,4-diphenyl-1H-pyrazole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  A facile approach to polysubstituted pyrazoles from hydrazonyl chlorides and vinyl azides

  摘要：

  A novel and facile approach to polysubstituted pyrazoles from readily synthesized hydrazonyl chlorides and vinyl azides was developed. The reaction was regiospecific and proceeded under mild conditions in the presence of base. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.103

文献信息

• A facile approach to polysubstituted pyrazoles from hydrazonyl chlorides and vinyl azides
  作者：Hongbin Zou、Huajian Zhu、Jiaan Shao、Jianwei Wu、Wenteng Chen、Marc A. Giulianotti、Yongping Yu

  DOI：10.1016/j.tet.2011.04.103

  日期：2011.7

  A novel and facile approach to polysubstituted pyrazoles from readily synthesized hydrazonyl chlorides and vinyl azides was developed. The reaction was regiospecific and proceeded under mild conditions in the presence of base. (C) 2011 Elsevier Ltd. All rights reserved.