N-(4-chlorophenyl)-2-(5,6-dimethyl-1H-benzo[d]imidazol-1-yl)aniline | 1352820-71-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: N-(4-chlorophenyl)-2-(5,6-dimethyl-1H-benzo[d]imidazol-1-yl)aniline
• 英文别名: N-(4-chlorophenyl)-2-(5,6-dimethylbenzimidazol-1-yl)aniline
• CAS: 1352820-71-3
• 化学式: C₂₁H₁₈ClN₃
• 分子量: 347.847
• InChiKey: HRHJLISGJBMOPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-chlorophenyl)-2-(5,6-dimethyl-1H-benzo[d]imidazol-1-yl)aniline 在 1,10-菲罗啉 、 氧气 、 copper diacetate 、 sodium acetate 作用下， 以 间二甲苯 为溶剂， 155.0 ℃ 、101.33 kPa 条件下， 反应 55.0h， 以95%的产率得到5-(4-chlorophenyl)-8,9-dimethylbenzimidazo[1,2-a]benzimidazole
  参考文献：
  名称：

  Copper-Catalyzed Aerobic Oxidative Intramolecular C–H Amination Leading to Imidazobenzimidazole Derivatives

  摘要：

  A highly efficient copper-catalyzed aerobic oxidative intramolecular C-H amination has been developed using substituted 2-(1H-imidazol-1-yl)-N-alkylbenzenamines as the starting materials, and the corresponding imidazobenzimidazole derivatives were obtained in excellent yields. This is an economical and practical method for the construction of N-heterocycles.

  DOI：

  10.1021/ol202884z
• 作为产物：
  描述：

  5,6-二甲基苯并咪唑 在 potassium phosphate 、 copper(l) iodide 、 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0~110.0 ℃ 、303.99 kPa 条件下， 反应 52.0h， 生成 N-(4-chlorophenyl)-2-(5,6-dimethyl-1H-benzo[d]imidazol-1-yl)aniline
  参考文献：
  名称：

  Copper-Catalyzed Aerobic Oxidative Intramolecular C–H Amination Leading to Imidazobenzimidazole Derivatives

  摘要：

  A highly efficient copper-catalyzed aerobic oxidative intramolecular C-H amination has been developed using substituted 2-(1H-imidazol-1-yl)-N-alkylbenzenamines as the starting materials, and the corresponding imidazobenzimidazole derivatives were obtained in excellent yields. This is an economical and practical method for the construction of N-heterocycles.

  DOI：

  10.1021/ol202884z

文献信息

• Copper-Catalyzed Aerobic Oxidative Intramolecular C–H Amination Leading to Imidazobenzimidazole Derivatives
  作者：Xiaoqiang Wang、Yunhe Jin、Yufen Zhao、Lin Zhu、Hua Fu

  DOI：10.1021/ol202884z

  日期：2012.1.20

  A highly efficient copper-catalyzed aerobic oxidative intramolecular C-H amination has been developed using substituted 2-(1H-imidazol-1-yl)-N-alkylbenzenamines as the starting materials, and the corresponding imidazobenzimidazole derivatives were obtained in excellent yields. This is an economical and practical method for the construction of N-heterocycles.