[RuCl(diop)(PhCN)3](+)PF6(-) | 163482-57-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [RuCl(diop)(PhCN)3](+)PF6(-)
• 英文别名: benzonitrile;chlororuthenium(1+);[5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane;hexafluorophosphate
• CAS: 163482-57-3
• 化学式: C₅₂H₄₇ClN₃O₂P₂Ru*F₆P
• 分子量: 1089.4
• InChiKey: YTWLRGUPRSOWDN-UHFFFAOYSA-M

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：

  氘代氯仿 、 [RuCl(diop)(PhCN)3](+)PF6(-) 以 氘代氯仿 为溶剂， 生成 [Ru2Cl3(diop)2(PhCN)2](+)PF6(-)
  参考文献：
  名称：

  Chiral and Achiral Diphosphine Complexes of Ruthenium(II) Incorporating Labile Nitrile Ligands:  Synthesis and Solution Chemistry of Mono- and Dinuclear Derivatives of Ru₂Cl₄(PP)₂ (PP = Chelating Diphosphine)

  摘要：

  A family of nitrile complexes has been prepared by reaction of Ru2Cl4(PP)(2) Or RuCl2(PP)(PPh3) (PP = Ph2P(CH2)(4)PPh2 (dppb), Ph2PCH2CHOCMe2OCHCH2PPh2 (diop), 2,2'-bis(diphenylphosphino)-1, 1'-binaphthyl (binap)) with MeCN or PhCN, the product formed depending strongly on the reaction conditions. At high nitrile concentrations, the principal species present is RuCl(PP)(RCN)(3)X-+(-) (X = Cl); the cation can generally be isolated (as the PF6 salt) by abstraction of the chloride counterion with NH4PF6. Use of 2 equiv of NH4PF6 generates Ru(PP)(RCN)(4)(2+)(PF6-)(2) (PP = dppb). In the absence of a halide-abstracting agent, addition of hexanes or diethyl ether precipitates neutral RuCl2(PP)(RCN)(2) species, which undergo further loss of nitrile in the solid state (R = Me) or in solution (R = Me, Ph). Redissolution of the neutral species in chlorocarbon solvents gives Ru2Cl3(PP)(2)(RCN)(2)X-+(-) (X = Cl) and, in benzene, Ru2Cl4(PP)(2)(RCN). The dinuclear cation (X = PF6) is also accessible by reaction of RuCl(PP)(RCN)(3)+PF6- with CH2Cl2 or CDCl3, while the mononitrile can be obtained directly by reaction of Ru2Cl4(PP)(2) or RuCl2(PP)(PPh3) with small amounts of nitrile in benzene.

  DOI：

  10.1021/ic960735y
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 {RuCl2(diop)(PPh3)} 、 二氯甲烷 、 乙腈 以 二氯甲烷 、 苯甲腈 、 丙酮 为溶剂， 以83%的产率得到[RuCl(diop)(PhCN)3](+)PF6(-)
  参考文献：
  名称：

  Chiral and Achiral Diphosphine Complexes of Ruthenium(II) Incorporating Labile Nitrile Ligands:  Synthesis and Solution Chemistry of Mono- and Dinuclear Derivatives of Ru₂Cl₄(PP)₂ (PP = Chelating Diphosphine)

  摘要：

  A family of nitrile complexes has been prepared by reaction of Ru2Cl4(PP)(2) Or RuCl2(PP)(PPh3) (PP = Ph2P(CH2)(4)PPh2 (dppb), Ph2PCH2CHOCMe2OCHCH2PPh2 (diop), 2,2'-bis(diphenylphosphino)-1, 1'-binaphthyl (binap)) with MeCN or PhCN, the product formed depending strongly on the reaction conditions. At high nitrile concentrations, the principal species present is RuCl(PP)(RCN)(3)X-+(-) (X = Cl); the cation can generally be isolated (as the PF6 salt) by abstraction of the chloride counterion with NH4PF6. Use of 2 equiv of NH4PF6 generates Ru(PP)(RCN)(4)(2+)(PF6-)(2) (PP = dppb). In the absence of a halide-abstracting agent, addition of hexanes or diethyl ether precipitates neutral RuCl2(PP)(RCN)(2) species, which undergo further loss of nitrile in the solid state (R = Me) or in solution (R = Me, Ph). Redissolution of the neutral species in chlorocarbon solvents gives Ru2Cl3(PP)(2)(RCN)(2)X-+(-) (X = Cl) and, in benzene, Ru2Cl4(PP)(2)(RCN). The dinuclear cation (X = PF6) is also accessible by reaction of RuCl(PP)(RCN)(3)+PF6- with CH2Cl2 or CDCl3, while the mononitrile can be obtained directly by reaction of Ru2Cl4(PP)(2) or RuCl2(PP)(PPh3) with small amounts of nitrile in benzene.

  DOI：

  10.1021/ic960735y