1-(2-diisopropylaminoethyl)-3-(2-methoxyethyl)benzimidazolium chloride | 1293910-88-9

• 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-(2-diisopropylaminoethyl)-3-(2-methoxyethyl)benzimidazolium chloride
• CAS: 1293910-88-9
• 化学式: C₁₈H₃₀N₃O*Cl
• 分子量: 339.909
• InChiKey: GKQAHUSGPITUBO-UHFFFAOYSA-M

物化性质

• 熔点：
  223-224 °C(Solvent: Ethanol ; Diethyl ether)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  23.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  21.28
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(2-diisopropylaminoethyl)-3-(2-methoxyethyl)benzimidazolium chloride 、 palladium diacetate 以 二甲基亚砜 为溶剂， 反应 5.0h， 以65%的产率得到dichlorobis[1-(2-diisopropylaminoethyl)-3-(2-methoxyethyl)benzimidazol-2-ylidene]palladium(II)
  参考文献：
  名称：

  钯(II) N-杂环卡宾配合物在离子液体中催化苯乙烯分子间加氢胺化

  摘要：

  PdCl2(NHC)(2) complexes have been synthesized by the reaction of palladium acetate with a series of benzimidazolium and imidazolinium salts and characterized by elemental analysis, H-1 NMR and C-13 NMR spectroscopy. These complexes were used as catalysts for the intermolecular hydroamination reactions between styrene with various anilines in ionic liquid at 160 degrees C and corresponding anti-Markovnikov products were obtained with a selectivity of 100% in good yields.

  DOI：

  10.3987/com-16-13546
• 作为产物：
  描述：

  2-氯乙基甲基醚 、 1-2-(diisopropylamino)ethylbenzimidazole 以 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 以58%的产率得到1-(2-diisopropylaminoethyl)-3-(2-methoxyethyl)benzimidazolium chloride
  参考文献：
  名称：

  The Synthesis of Novel Palladium(II) Carbene Complexes, Azolium Salts and Their Catalytic Properties

  摘要：

  Novel three 1,3-bis[2-(N,N'-diisopropylamino)ethyl]imidazolinium, 1,3-bis[2-(N,N'-diisopropylamino)ethyl]benzimidazolium and 1-(2-diisopropylaminoethyl)-3-(2-methoxyethyl)benzimidazolium chloride salts (1, 3a-b) and two palladium complex (2, 4) have been prepared and characterized by C, H, N analysis, H-1 NMR and C-13 NMR and they have been investigated their catalytic activity in the Heck and Suzuki coupling reactions.

  DOI：

  10.3987/com-10-12081
• 作为试剂：
  描述：

  苯乙烯 、 4-溴苯甲醚 在 1-(2-diisopropylaminoethyl)-3-(2-methoxyethyl)benzimidazolium chloride 、 palladium diacetate 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 8.0h， 以90%的产率得到4-甲氧基芪
  参考文献：
  名称：

  The Synthesis of Novel Palladium(II) Carbene Complexes, Azolium Salts and Their Catalytic Properties

  摘要：

  Novel three 1,3-bis[2-(N,N'-diisopropylamino)ethyl]imidazolinium, 1,3-bis[2-(N,N'-diisopropylamino)ethyl]benzimidazolium and 1-(2-diisopropylaminoethyl)-3-(2-methoxyethyl)benzimidazolium chloride salts (1, 3a-b) and two palladium complex (2, 4) have been prepared and characterized by C, H, N analysis, H-1 NMR and C-13 NMR and they have been investigated their catalytic activity in the Heck and Suzuki coupling reactions.

  DOI：

  10.3987/com-10-12081