N-2-(2-氯苄基)-3-(4-乙氧基羰基苯基)吲唑 | 1001084-50-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N-2-(2-氯苄基)-3-(4-乙氧基羰基苯基)吲唑
• 英文名称: N-2-(2-chlorobenzyl)-3-(4-ethoxycarbonylphenyl)indazole
• 英文别名: Ethyl 4-[2-[(2-chlorophenyl)methyl]indazol-3-yl]benzoate
• CAS: 1001084-50-9
• 化学式: C₂₃H₁₉ClN₂O₂
• 分子量: 390.869
• InChiKey: OGIDVGQWLKFQOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  3-(4-ethoxycarbonylphenyl)indazole 、 邻氯苄醇 在 三丁基膦 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以51%的产率得到N-1-(2-氯苄基)-3-(4-乙氧基羰基苯基)吲唑
  参考文献：
  名称：

  Microwave-assisted synthesis of N-2-benzyl-3-(4-ethoxycarbonylphenyl)indazole derivatives

  摘要：

  The microwave-assisted synthesis for promoting N-2 substituted indazoles as the major products were successfully developed by treating 3-(4-ethoxycarbonylphenyl)indazoles with various substituted benzyl chloride (benzyl, o-chlorobenzyl, m-chlorobenzyl, and p-chlorobenzyl chloride) in the presence of two equivalents of triethylamine. The result was better than two trandional methods including the directly substitution with benzyl chloride and Mitsunobu reaction with benzyl alcohol.

  DOI：

  10.1016/s0385-5414(07)81204-4

文献信息

• Microwave-assisted synthesis of N-2-benzyl-3-(4-ethoxycarbonylphenyl)indazole derivatives
  作者：H CHEN、L HUANG、F WONG、F LEE、C TENG、S KUO

  DOI：10.1016/s0385-5414(07)81204-4

  日期：2007.12.1

  The microwave-assisted synthesis for promoting N-2 substituted indazoles as the major products were successfully developed by treating 3-(4-ethoxycarbonylphenyl)indazoles with various substituted benzyl chloride (benzyl, o-chlorobenzyl, m-chlorobenzyl, and p-chlorobenzyl chloride) in the presence of two equivalents of triethylamine. The result was better than two trandional methods including the directly substitution with benzyl chloride and Mitsunobu reaction with benzyl alcohol.