1-(2,6-diisopropylphenyl)-3-[ (6-{[N-methyl-3-(triethoxysilyl)propan-1-amino]methyl}pyridin-2-yl)methyl]-1H-imidazol-3-ium bromide | 1288927-14-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 1-(2,6-diisopropylphenyl)-3-[ (6-{[N-methyl-3-(triethoxysilyl)propan-1-amino]methyl}pyridin-2-yl)methyl]-1H-imidazol-3-ium bromide
• 英文别名: 1-(2,6-diisopropylphenyl)-3-[(6-([N-methyl-3-(triethoxysilyl)propan-1-amino]methyl)pyridin-2-yl)methyl]-1H-imidazol-3-ium bromide；1-(2,6-diisopropylphenyl)-3-[(6-{[N-methyl-3-(triethoxysilyl)propan-1-amino]methyl}pyridin-2-yl)methyl]-1H-imidazol-3-ium bromide
• CAS: 1288927-14-9
• 化学式: Br*C₃₂H₅₁N₄O₃Si
• 分子量: 647.771
• InChiKey: YIGXLLXLIPDHRZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  41.0
• 可旋转键数：
  17.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  52.63
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [RuHCl(CO)(PPh₃)₃] 、 1-(2,6-diisopropylphenyl)-3-[ (6-{[N-methyl-3-(triethoxysilyl)propan-1-amino]methyl}pyridin-2-yl)methyl]-1H-imidazol-3-ium bromide 在 Ag₂O 作用下， 以 二氯甲烷 为溶剂， 生成 [Ru(H)Cl(CO)(2-[[3-(2,6-diisopropylphenyl)-2,3-dihydro-1H-imidazol-1-yl]methyl]-6-[[N-methyl-3-(triethoxysilyl)propan-1-amino]methyl]pyridine)]
  参考文献：
  名称：

  Pincer-type Pyridine-Based N-Heterocyclic Carbene Amine Ru(II) Complexes as Efficient Catalysts for Hydrogen Transfer Reactions

  摘要：

  Stable well-defined pincer-type N-heterocyclic carbene ruthenium complexes Were developed as an alternative to phosphine complexes. These highly stable phosphine-free complexes were found to be efficient catalysts for transfer hydrogen reactions: the conversion of primary alcohols to esters and the reduction of carbonyl compounds. We also describe one approach toward immobilization through covalent bonding to silica via a pendant alkoxysilane group.

  DOI：

  10.1021/om101179a
• 作为产物：
  描述：

  2,6-双(溴甲基)吡啶 、 1-(2,6-二异丙基苯基)-1H-咪唑 以 丙酮 为溶剂， 反应 18.0h， 生成 1-(2,6-diisopropylphenyl)-3-[ (6-{[N-methyl-3-(triethoxysilyl)propan-1-amino]methyl}pyridin-2-yl)methyl]-1H-imidazol-3-ium bromide
  参考文献：
  名称：

  Pincer-type Pyridine-Based N-Heterocyclic Carbene Amine Ru(II) Complexes as Efficient Catalysts for Hydrogen Transfer Reactions

  摘要：

  Stable well-defined pincer-type N-heterocyclic carbene ruthenium complexes Were developed as an alternative to phosphine complexes. These highly stable phosphine-free complexes were found to be efficient catalysts for transfer hydrogen reactions: the conversion of primary alcohols to esters and the reduction of carbonyl compounds. We also describe one approach toward immobilization through covalent bonding to silica via a pendant alkoxysilane group.

  DOI：

  10.1021/om101179a