Ru(biPSi)(CO)Cl | 345984-36-3

• 英文名称: Ru(biPSi)(CO)Cl
• CAS: 345984-36-3；331624-05-6
• 化学式: C₃₂H₃₅ClOP₂RuSi
• 分子量: 662.185
• InChiKey: JJIFMPKGRVVYDR-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：
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• 环数：
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• 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：

  Ru(biPSi)(CO)Cl 、 lithium aluminium tetrahydride 以 not given 为溶剂， 生成 all-cis-[RuH2(biPSi)(CO)](1-)
  参考文献：
  名称：

  Stereomutation at an Octahedral Transition-Metal Center:  Energetics of Hydride Transit between Syn and Anti Faces of the Bis(diphenylphosphinopropyl)(methyl)silyl (biPSi) Complex RuH(biPSi)(CO)₂

  摘要：

  Reaction of SiH(Me)(CH2CH2CH2PPh2)(2), "bi-PSiH", with Ru(PPh3)(2)(CO)(3) affords quantitatively the phosphinoalkylsilyl complex RuH(biPSi)(CO)(2), as a mixture of the crystallographically characterized syn diastereomer 3-s and its anti correspondent 3-a; subsequent treatment with CCl4 then (LiAlH4)-H-2 provides access to the deuterioisotopomer (RuH)-H-2(biPSi)(CO)(2), 3-d(1). Slow stereomutation of pure 3-s to art equilibrium mixture 3-a/3-a (4.5:1, 295 K) occurs with DeltaG(295)(double dagger), 102(5) kJ mol(-1); DeltaH(295)(double dagger), 113(7) kJ mol(-1); DeltaS(295)(double dagger), 37(2) J K-1 mol(-1); this is not accompanied by incorporation of external (CO)-C-13, shores only a minor isotope effect us 3-d(1), and is concluded to be nondissociative.

  DOI：

  10.1021/om0100939
• 作为产物：
  描述：

  Ru(biPSi)(CO)2Cl 以 甲苯 为溶剂， 生成 Ru(biPSi)(CO)Cl
  参考文献：
  名称：

  Stereomutation at an Octahedral Transition-Metal Center:  Energetics of Hydride Transit between Syn and Anti Faces of the Bis(diphenylphosphinopropyl)(methyl)silyl (biPSi) Complex RuH(biPSi)(CO)₂

  摘要：

  Reaction of SiH(Me)(CH2CH2CH2PPh2)(2), "bi-PSiH", with Ru(PPh3)(2)(CO)(3) affords quantitatively the phosphinoalkylsilyl complex RuH(biPSi)(CO)(2), as a mixture of the crystallographically characterized syn diastereomer 3-s and its anti correspondent 3-a; subsequent treatment with CCl4 then (LiAlH4)-H-2 provides access to the deuterioisotopomer (RuH)-H-2(biPSi)(CO)(2), 3-d(1). Slow stereomutation of pure 3-s to art equilibrium mixture 3-a/3-a (4.5:1, 295 K) occurs with DeltaG(295)(double dagger), 102(5) kJ mol(-1); DeltaH(295)(double dagger), 113(7) kJ mol(-1); DeltaS(295)(double dagger), 37(2) J K-1 mol(-1); this is not accompanied by incorporation of external (CO)-C-13, shores only a minor isotope effect us 3-d(1), and is concluded to be nondissociative.

  DOI：

  10.1021/om0100939