1-(4-methoxyphenyl)-2-(1-phenylethyl)-1H-benzo[d]imidazole | 1372155-72-0

• 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: 1-(4-methoxyphenyl)-2-(1-phenylethyl)-1H-benzo[d]imidazole
• 英文别名: 1-(4-Methoxyphenyl)-2-(1-phenylethyl)benzimidazole；1-(4-methoxyphenyl)-2-(1-phenylethyl)benzimidazole
• CAS: 1372155-72-0
• 化学式: C₂₂H₂₀N₂O
• 分子量: 328.414
• InChiKey: KXGQIVTZOWJZBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯乙烯 、 1-(4-甲氧基苯基)-1H-苯并咪唑 在 bis(1,5-cyclooctadiene)nickel (0) 、 1,3-二均三甲苯基咪唑-2-叉 作用下， 以 甲苯 为溶剂， 反应 15.0h， 以94%的产率得到1-(4-methoxyphenyl)-2-(1-phenylethyl)-1H-benzo[d]imidazole
  参考文献：
  名称：

  The Regioselective Switch for Amino-NHC Mediated C–H Activation of Benzimidazole via Ni–Al Synergistic Catalysis

  摘要：

  We have disclosed a new mode of a chemically regioselective switch for C-H bond functionalization of benzimidazole derivatives via a cooperative effect invoked by Ni-Al bimetallic catalysis to create a steric requirement for obtaining the linear product of styrene insertion. Yet, excluding the AlMe3 cocatalyst switches the reaction toward branch selectivity.

  DOI：

  10.1021/ol300570f

文献信息

• The Regioselective Switch for Amino-NHC Mediated C–H Activation of Benzimidazole via Ni–Al Synergistic Catalysis
  作者：Wei-Chun Shih、Wen-Ching Chen、Ying-Chieh Lai、Ming-Shiuan Yu、Jhao-Jhe Ho、Glenn P. A. Yap、Tiow-Gan Ong

  DOI：10.1021/ol300570f

  日期：2012.4.20

  We have disclosed a new mode of a chemically regioselective switch for C-H bond functionalization of benzimidazole derivatives via a cooperative effect invoked by Ni-Al bimetallic catalysis to create a steric requirement for obtaining the linear product of styrene insertion. Yet, excluding the AlMe3 cocatalyst switches the reaction toward branch selectivity.