1-isopropyl-3-(2,4,6-trimethylbenzyl)benzimidazolium chloride | 1429770-42-2

• 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-isopropyl-3-(2,4,6-trimethylbenzyl)benzimidazolium chloride
• CAS: 1429770-42-2
• 化学式: C₂₀H₂₅N₂*Cl
• 分子量: 328.885
• InChiKey: ILMZADJXCRIWPW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  methoxy(cyclooctadiene)rhodium(I) dimer 、 1-isopropyl-3-(2,4,6-trimethylbenzyl)benzimidazolium chloride 以 四氢呋喃 为溶剂， 反应 5.0h， 以78%的产率得到[1-(2,4,6-trimethylbenzyl)-3-(isopropyl)]-benzimidazolin-2-ylidene-[(1,2,5,6-η⁴)-1,5-cyclooctadiene]chlororhodium(I)
  参考文献：
  名称：

  Synthesis of rhodium complexes derived from benzimidazolin-2-ylidene ligands and first used for the addition of arylboron to benzonitriles

  摘要：

  Benzimidazolium salts and their new rhodium complexes ([RH(COD)(NHC)Cl]) were synthesized and characterized by elemental analysis, H-1 NMR, C-13 NMR, and IR spectroscopy. The addition of arylboron to benzonitriles in the presence of a catalytic amount of rhodium NHC complexes was examined. Corresponding carbonyl compounds were obtained in good yields. This method allows for the preparation of a wide variety of carbonyl compounds in moderate to excellent yields and displays a high level of activity for the addition of arylboron to nitriles. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.01.025
• 作为产物：
  描述：

  1-异丙基-1H-苯并咪唑 、 2,4,6-三甲基氯苄 以 N,N-二甲基甲酰胺 为溶剂， 以82%的产率得到1-isopropyl-3-(2,4,6-trimethylbenzyl)benzimidazolium chloride
  参考文献：
  名称：

  Synthesis of rhodium complexes derived from benzimidazolin-2-ylidene ligands and first used for the addition of arylboron to benzonitriles

  摘要：

  Benzimidazolium salts and their new rhodium complexes ([RH(COD)(NHC)Cl]) were synthesized and characterized by elemental analysis, H-1 NMR, C-13 NMR, and IR spectroscopy. The addition of arylboron to benzonitriles in the presence of a catalytic amount of rhodium NHC complexes was examined. Corresponding carbonyl compounds were obtained in good yields. This method allows for the preparation of a wide variety of carbonyl compounds in moderate to excellent yields and displays a high level of activity for the addition of arylboron to nitriles. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.01.025