1-butyl-3-(4-methylbenzyl)benzimidazolium chloride | 1384164-81-1

• 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-butyl-3-(4-methylbenzyl)benzimidazolium chloride
• 英文别名: 1-Butyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium;chloride；1-butyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium;chloride
• CAS: 1384164-81-1
• 化学式: C₁₉H₂₃N₂*Cl
• 分子量: 314.858
• InChiKey: GUVLDNZIKSEIIO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.09
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 1-butyl-3-(4-methylbenzyl)benzimidazolium chloride 在 silver(l) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以85%的产率得到dichloro[1-(n-butyl)-3-(4-methylbenzyl)benzimidazol-2-ylidene](p-cymene)ruthenium(II)
  参考文献：
  名称：

  Synthesis of ruthenium N-heterocyclic carbene complexes and their catalytic activity for β-alkylation of tertiary cyclic amines

  摘要：

  The novel ruthenium N-Heterocyclic carbene complexes are synthesized, and characterized by studying its H-1, C-13, elemental analysis, and X-ray. These complexes have been reported as promising catalyst for beta C-H bond functionalization of tertiary cyclic amines through hydrogen autotransfers in the presence of external acidic additive. The new catalytic products were characterized by H-1 NMR, C-13 NMR spectroscopic methods. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2015.10.011
• 作为产物：
  描述：

  1-丁基-1H-苯并咪唑 、 4-甲基氯苄 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以90%的产率得到1-butyl-3-(4-methylbenzyl)benzimidazolium chloride
  参考文献：
  名称：

  新型苯并咪唑鎓盐及其银配合物：合成和抗菌性能

  摘要：

  摘要 合成了一系列不对称的 N,N-二取代苯并咪唑盐作为 N-杂环卡宾 (NHC) 前体。这些化合物用于合成 N-杂环卡宾银 (I) 配合物。新化合物通过核磁共振和红外光谱以及元素分析进行​​了表征。使用琼脂稀释程序测试所有化合物对革兰氏 (+)/(-) 和真菌菌株的抗菌活性。

  DOI：

  10.1016/j.inoche.2012.04.033

文献信息

• Synthesis of ruthenium N-heterocyclic carbene complexes and their catalytic activity for β-alkylation of tertiary cyclic amines
  作者：İsmail Özdemir、Serpil Demir Düşünceli、Nazan Kaloğlu、Mathieu Achard、Christian Bruneau

  DOI：10.1016/j.jorganchem.2015.10.011

  日期：2015.12

  The novel ruthenium N-Heterocyclic carbene complexes are synthesized, and characterized by studying its H-1, C-13, elemental analysis, and X-ray. These complexes have been reported as promising catalyst for beta C-H bond functionalization of tertiary cyclic amines through hydrogen autotransfers in the presence of external acidic additive. The new catalytic products were characterized by H-1 NMR, C-13 NMR spectroscopic methods. (C) 2015 Elsevier B.V. All rights reserved.
• Novel benzimidazolium salts and their silver complexes: Synthesis and antibacterial properties
  作者：Selami Günal、Nazan Kaloğlu、İlknur Özdemir、Serpil Demir、İsmail Özdemir

  DOI：10.1016/j.inoche.2012.04.033

  日期：2012.7

  Abstract A series of unsymmetrical N,N-disubstituted benzimidazolium salts were synthesized as N-heterocyclic carbene (NHC) precursors. These compounds were used to synthesize of N-heterocyclic carbene silver(I) complexes. New compounds were characterized by NMR and IR spectroscopies and elemental analyses. The antibacterial activity of all the compounds was tested against Gram (+)/(−) and fungal strains

  摘要 合成了一系列不对称的 N,N-二取代苯并咪唑盐作为 N-杂环卡宾 (NHC) 前体。这些化合物用于合成 N-杂环卡宾银 (I) 配合物。新化合物通过核磁共振和红外光谱以及元素分析进行​​了表征。使用琼脂稀释程序测试所有化合物对革兰氏 (+)/(-) 和真菌菌株的抗菌活性。