[η6:η1-C6H5(CH2)3NTf]RuCl(CH3CN) | 1078722-33-4

• 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: [η6:η1-C6H5(CH2)3NTf]RuCl(CH3CN)
• 英文别名: acetonitrile;3-phenylpropyl(trifluoromethylsulfonyl)azanide;ruthenium(2+);chloride
• CAS: 1078722-33-4
• 化学式: C₁₂H₁₄ClF₃N₂O₂RuS
• 分子量: 443.84
• InChiKey: PVWMERFGNFLXHS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.37
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  67.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [η6:η1-C6H5(CH2)3NTf]RuCl(CH3CN) 、 (1S,2S)-(+)-N-对甲苯磺酰基-1,2-二苯基乙二胺 以 not given 为溶剂， 生成 [η6:η1-C6H5(CH2)3NTf]Ru((S,S-TsNCH(C6H5)CH(C6H5)NH2)
  参考文献：
  名称：

  Well-Defined Triflylamide-Tethered Arene−Ru(Tsdpen) Complexes for Catalytic Asymmetric Hydrogenation of Ketones

  摘要：

  Well-defined triflylamide-tethered arene-Ru(Tsdpen) complexes have been developed as highly efficient catalysts for the asymmetric hydrogenation of ketones, in which the suitable carbon chain length of the tether is responsible for the activation of H, as well as the stereochemical outcome of the reaction. The asymmetric hydrogenation of aromatic ketones with the tethered complex with a C-4 side chain gave the corresponding secondary alcohols with 91-98% ee, while the shorter congeners with a C-2 or C-3 side chain provided unsatisfactory results in tems of reactivity and selectivity.

  DOI：

  10.1021/om800735z
• 作为产物：
  描述：

  [(η6-C6H5(CH2)3NHTf)RuCl2]2 、 乙腈 以 乙腈 为溶剂， 生成 [η6:η1-C6H5(CH2)3NTf]RuCl(CH3CN)
  参考文献：
  名称：

  Well-Defined Triflylamide-Tethered Arene−Ru(Tsdpen) Complexes for Catalytic Asymmetric Hydrogenation of Ketones

  摘要：

  Well-defined triflylamide-tethered arene-Ru(Tsdpen) complexes have been developed as highly efficient catalysts for the asymmetric hydrogenation of ketones, in which the suitable carbon chain length of the tether is responsible for the activation of H, as well as the stereochemical outcome of the reaction. The asymmetric hydrogenation of aromatic ketones with the tethered complex with a C-4 side chain gave the corresponding secondary alcohols with 91-98% ee, while the shorter congeners with a C-2 or C-3 side chain provided unsatisfactory results in tems of reactivity and selectivity.

  DOI：

  10.1021/om800735z