[1-butyl-3-methylimidazolium][SnCl3] | 359845-22-0

• 英文名称: [1-butyl-3-methylimidazolium][SnCl3]
• 英文别名: [bmim][SnCl3]
• CAS: 359845-22-0
• 化学式: C₈H₁₅N₂*Cl₃Sn
• 分子量: 364.289
• InChiKey: UIWRNBNXXFIREX-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [1-butyl-3-methylimidazolium][SnCl3] 、 cis-[PtCl₂(PH₃)2] 以 further solvent(s) 为溶剂， 生成 cis-[PtCl(SnCl₃)(PH₃)2]
  参考文献：
  名称：

  Mechanistic studies on the formation of Pt(II) hydroformylation catalysts in imidazolium-based ionic liquids

  摘要：

  The kinetics of the formation of the active species cis-[Pt-II(PPh3)(2)Cl(SnCl3)] and cis-[Pt-II(PPh3)(2)(SnCl3)(2)] from the hydroformylation catalyst precursor cis-[Pt-II(PPh3)(2)Cl-2] in the presence of SnCl2, was studied in two different imidazolium-based ionic liquids. A large range of different chlorostannate melts consisting of 1-butyl-3-methyl-imidazolium cations and [SnxCly]((-y + 2x)) anions with varying molar fraction of SnCl2, were prepared and characterized by H-1 and Sn-119 NMR. The observed chemical shifts point to major changes in the composition of the anionic species within the melt. The second ionic liquid employed, viz., 1-butyl-3-methyl-imidazolium-bis(trifluormethylsulfonyl)amide was prepared in a colorless quality that enabled its application in kinetic studies. The concentration and temperature dependence of the substitution of Cl- by [SnCl3](-) to yield cis-(Pt-II(PPh3)(2)Cl(SnCl3)], could be studied in detail. Theoretical (DFT) calculations were employed to model the reaction progress and to resolve the role of the ionic liquid in the activation of the catalyst. The available results are presented and a plausible mechanism for the formation of the catalytically active species is suggested. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.03.029
• 作为产物：
  描述：

  氯化(1-丁基-3-甲基咪唑) 、 tin(ll) chloride 以 neat (no solvent) 为溶剂， 生成 [1-butyl-3-methylimidazolium][SnCl3]
  参考文献：
  名称：

  Mechanistic studies on the formation of Pt(II) hydroformylation catalysts in imidazolium-based ionic liquids

  摘要：

  The kinetics of the formation of the active species cis-[Pt-II(PPh3)(2)Cl(SnCl3)] and cis-[Pt-II(PPh3)(2)(SnCl3)(2)] from the hydroformylation catalyst precursor cis-[Pt-II(PPh3)(2)Cl-2] in the presence of SnCl2, was studied in two different imidazolium-based ionic liquids. A large range of different chlorostannate melts consisting of 1-butyl-3-methyl-imidazolium cations and [SnxCly]((-y + 2x)) anions with varying molar fraction of SnCl2, were prepared and characterized by H-1 and Sn-119 NMR. The observed chemical shifts point to major changes in the composition of the anionic species within the melt. The second ionic liquid employed, viz., 1-butyl-3-methyl-imidazolium-bis(trifluormethylsulfonyl)amide was prepared in a colorless quality that enabled its application in kinetic studies. The concentration and temperature dependence of the substitution of Cl- by [SnCl3](-) to yield cis-(Pt-II(PPh3)(2)Cl(SnCl3)], could be studied in detail. Theoretical (DFT) calculations were employed to model the reaction progress and to resolve the role of the ionic liquid in the activation of the catalyst. The available results are presented and a plausible mechanism for the formation of the catalytically active species is suggested. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.03.029