1-(2,3,4,5,6-pentamethylbenzyl)-3-(2,4,6-trimethylbenzyl)imidazolinium chloride | 1202027-91-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2,3,4,5,6-pentamethylbenzyl)-3-(2,4,6-trimethylbenzyl)imidazolinium chloride
• CAS: 1202027-91-5
• 化学式: C₂₅H₃₅N₂*Cl
• 分子量: 399.019
• InChiKey: CHUWBCGJFLCQPX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  6.25
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 1-(2,3,4,5,6-pentamethylbenzyl)-3-(2,4,6-trimethylbenzyl)imidazolinium chloride 在 caesium carbonate 作用下， 以 甲苯 为溶剂， 以87%的产率得到RuCl2[η1-CN(CH2(η6-C6(CH3)5-2,3,4,5,6))CH2CH2N(CH2C6H2(CH3)3-2,4,6)]
  参考文献：
  名称：

  Synthesis and catalytic properties of novel ruthenium N-heterocyclic-carbene complexes

  摘要：

  The reaction of [RuCl2(p-cymene)](2) with 1,3-dialkylimidazolinium salts 1a-f in the presence of a small excess of cesium carbonate yields chelated eta(6)-arene, eta(1)-carbene ruthenium complexes 2a-f. All synthesised compounds were characterized by elemental analysis, NMR spectroscopy. The catalytic activity of RuCl2(eta(6)-arene, eta(1)-imidazolinylidene) complexes 2a-f was evaluated in the direct arylation of 2-phenylpyridine with chlorobenzene derivatives. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.08.030
• 作为产物：
  描述：

  N-(2,3,4,5,6-pentamethylbenzyl)imidazoline 、 2,4,6-三甲基氯苄 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以93%的产率得到1-(2,3,4,5,6-pentamethylbenzyl)-3-(2,4,6-trimethylbenzyl)imidazolinium chloride
  参考文献：
  名称：

  Synthesis and catalytic properties of novel ruthenium N-heterocyclic-carbene complexes

  摘要：

  The reaction of [RuCl2(p-cymene)](2) with 1,3-dialkylimidazolinium salts 1a-f in the presence of a small excess of cesium carbonate yields chelated eta(6)-arene, eta(1)-carbene ruthenium complexes 2a-f. All synthesised compounds were characterized by elemental analysis, NMR spectroscopy. The catalytic activity of RuCl2(eta(6)-arene, eta(1)-imidazolinylidene) complexes 2a-f was evaluated in the direct arylation of 2-phenylpyridine with chlorobenzene derivatives. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.08.030