N-methyl-6-chloro-2-phenylbenzimidazole | 26960-06-5

• 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-methyl-6-chloro-2-phenylbenzimidazole
• 英文别名: 1-Methyl-2-phenyl-6-chlorbenzimidazol；6-chloro-1-methyl-2-phenyl-1H-benzoimidazole；6-chloro-1-methyl-2-phenyl-1H-benzimidazole；6-chloro-1-methyl-2-phenylbenzimidazole
• CAS: 26960-06-5
• 化学式: C₁₄H₁₁ClN₂
• 分子量: 242.708
• InChiKey: ZTDTYPBTEXIESK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-benzyl-5-chloro-3-methyl-2-phenyl-2,3-dihydro-1H-benzoimidazole 生成 N-methyl-6-chloro-2-phenylbenzimidazole
  参考文献：
  名称：

  RAO, C. V. CHALAPATHI;REDDY, K. K.;RAO, N. V. SUBBA, INDIAN J. CHEM., 1980, 19, N 11, 967-969

  摘要：

  DOI：

文献信息

• Copper Catalyzed N-Arylation of Amidines with Aryl Boronic Acids and One-Pot Synthesis of Benzimidazoles by a Chan–Lam–Evans N-Arylation and C–H Activation/C–N Bond Forming Process
  作者：Jihui Li、Sébastien Bénard、Luc Neuville、Jieping Zhu

  DOI：10.1021/ol3028847

  日期：2012.12.7

  Mono-N-arylation of benzamidines 1 with aryl boronic acids 2 was effectively achieved in the presence of a catalytic amount of Cu(OAc)(2) and NaOPiv under mild aerobic conditions. Combining this step with an intramolecular direct C-H bond functionalization, catalyzed by the same catalytic system but under oxygen at 120 degrees C, afforded benzimidazoles 3 in good to excellent yields.
• RAO, C. V. CHALAPATHI;REDDY, K. K.;RAO, N. V. SUBBA, INDIAN J. CHEM., 1980, 19, N 11, 967-969
  作者：RAO, C. V. CHALAPATHI、REDDY, K. K.、RAO, N. V. SUBBA

  DOI：——

  日期：——