2-(4-chloro-phenyl)-4,5,6,7-tetrahydro-1H-benzoimidazole | 35371-57-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-chloro-phenyl)-4,5,6,7-tetrahydro-1H-benzoimidazole
• 英文别名: 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole
• CAS: 35371-57-4
• 化学式: C₁₃H₁₃ClN₂
• 分子量: 232.713
• InChiKey: YOKWPAXRTCGTCI-UHFFFAOYSA-N

物化性质

• 沸点：
  444.8±33.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  对氟苯甲砜 、 2-(4-chloro-phenyl)-4,5,6,7-tetrahydro-1H-benzoimidazole 在 aluminum oxide 、 potassium fluoride 、 18-冠醚-6 作用下， 以 二甲基亚砜 为溶剂， 反应 8.0h， 以57%的产率得到1-(4-methylsulfonyl)-2-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazole
  参考文献：
  名称：

  Synthesis of N‐Aryl‐2‐substituted Tetrahydrobenzimidazoles via Direct N‐Arylation

  摘要：

  A series of novel N-aryl-2-substituted tetrahydrobenzimidazoles has been synthesized via direct N-arylation of 2-substituted tetrahydrobenzimidazoles, which was accomplished by a medium aryl electrophile, 4-methylsulfonylfluorobenze, in the presence of 37% KF/Al2O3 and 18-crown-6 in fair yields under mild reaction conditions. Meanwhile, the hydrogenation of 2-phenylbenzimidazole was studied.

  DOI：

  10.1080/00397910601168249

文献信息

• Synthesis of <i>N</i>‐Aryl‐2‐substituted Tetrahydrobenzimidazoles via Direct <i>N</i>‐Arylation
  作者：Mei‐Ying Li、He Liu、Bo‐Hua Zhong

  DOI：10.1080/00397910601168249

  日期：2007.3.1

  A series of novel N-aryl-2-substituted tetrahydrobenzimidazoles has been synthesized via direct N-arylation of 2-substituted tetrahydrobenzimidazoles, which was accomplished by a medium aryl electrophile, 4-methylsulfonylfluorobenze, in the presence of 37% KF/Al2O3 and 18-crown-6 in fair yields under mild reaction conditions. Meanwhile, the hydrogenation of 2-phenylbenzimidazole was studied.