1,3-N,N'-(propylacetoamido)benzimidazolium chloride | 1309566-44-6

• 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: 1,3-N,N'-(propylacetoamido)benzimidazolium chloride
• CAS: 1309566-44-6
• 化学式: C₁₇H₂₅N₄O₂*Cl
• 分子量: 352.864
• InChiKey: RHIKBHGOOVXNLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.01
• 重原子数：
  24.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  67.01
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  双(乙腈)氯化钯(II) 、 1,3-N,N'-(propylacetoamido)benzimidazolium chloride 在 Ag₂O 作用下， 以 二氯甲烷 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of amide-functionalized N-heterocyclic carbene–Pd complexes

  摘要：

  Amide-functionalized N-heterocyclic carbene (NHC) precursors such as azolium compounds have been designed and synthesized. Reaction of PdCl2(CH3CN)(2) with the NHC-Ag complex derived from the azolium salt gave [(NHC)PdCl2](2) or (NHC)(2)PdCl2, whereas PdCl2(PPh3)(2) reacted with the Ag complex to afford a mixed carbene/phosphine complex such as (NHC)(PPh3)PdCl2 together with a cationic [(NHC) (PPh3)(2)PdCl]Cl-+(-) whose structure was characterized by X-ray crystallographic studies. Thus, the library of NHC-Pd complexes with a tethered amide group has been successfully expanded. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.02.009
• 作为产物：
  描述：

  2-氯-n-丙基乙酰胺 、 N-propyl-1H-benzimidazole-1-acetamide 以 1,4-二氧六环 为溶剂， 反应 48.0h， 以73%的产率得到1,3-N,N'-(propylacetoamido)benzimidazolium chloride
  参考文献：
  名称：

  Synthesis and characterization of amide-functionalized N-heterocyclic carbene–Pd complexes

  摘要：

  Amide-functionalized N-heterocyclic carbene (NHC) precursors such as azolium compounds have been designed and synthesized. Reaction of PdCl2(CH3CN)(2) with the NHC-Ag complex derived from the azolium salt gave [(NHC)PdCl2](2) or (NHC)(2)PdCl2, whereas PdCl2(PPh3)(2) reacted with the Ag complex to afford a mixed carbene/phosphine complex such as (NHC)(PPh3)PdCl2 together with a cationic [(NHC) (PPh3)(2)PdCl]Cl-+(-) whose structure was characterized by X-ray crystallographic studies. Thus, the library of NHC-Pd complexes with a tethered amide group has been successfully expanded. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.02.009