[RuHCl(bis(phosphaadamantyl)propane)(PPh3)] | 898291-40-2

• 英文名称: [RuHCl(bis(phosphaadamantyl)propane)(PPh3)]
• CAS: 898291-40-2
• 化学式: C₄₁H₅₄ClO₆P₃Ru
• 分子量: 872.32
• InChiKey: NXUZVHWZGBPMRJ-IINGXBSISA-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：

  [RuHCl(bis(phosphaadamantyl)propane)(PPh3)] 、 (1R,2R)-1,2-diaminocyclohexane 以 乙醚 为溶剂， 以70%的产率得到trans-[RuHCl(bis(phosphaadamantyl)propane)((1R,2R)-1,2-diaminocyclohexane)]
  参考文献：
  名称：

  Ketone H2-hydrogenation catalysts: Ruthenium complexes with the headphone-like ligand bis(phosphaadamantyl)propane

  摘要：

  Treatment of 1,3-diphosphinopropane with acetylacetone in the presence of HCl gives the new chiral bis(phosphaadamantyl)propane ligand (bpap) (1) as a mixture of diastereoisomers. Recrystallization from ethanol gives a mixture enriched in rac diastereoisomer (90% rac/10% meso). The enriched mixture reacts with [RuHCl(PPh3)(3)] in refluxing THF to give [RuHCl(bpap)(PPh3)] (2) in 73% yield. Compound 2 reacts readily with chiral diamines giving octahedral trans-[RuHCl(bpap)(diamine)] complexes 3 (diamine = (1R,2R)-1,2-diaminocyclohexane) and 4 (diamine = (1R,2R)-1,2-diphenylethylenediamine). Compounds 3 and 4 are very active catalysts for H-2-hydrogenation of neat acetophenone in the presence of (KOBu)-Bu-t as a strong base under mild conditions (room temperature, 3 atm of H-2). The low ee values for 1-phenethanol can be attributed to the similar shapes of two terminal adamantoid cages and the flexible backbone of the bpap ligand. The structures of complexes 2 and 3 have been determined by single-crystal X-ray diffraction. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.11.018
• 作为产物：
  描述：

  hydridochlorotris(triphenylphosphine)ruthenium(II) 、 bis(phosphaadamantyl)propane 以 四氢呋喃 为溶剂， 以73%的产率得到[RuHCl(bis(phosphaadamantyl)propane)(PPh3)]
  参考文献：
  名称：

  Ketone H2-hydrogenation catalysts: Ruthenium complexes with the headphone-like ligand bis(phosphaadamantyl)propane

  摘要：

  Treatment of 1,3-diphosphinopropane with acetylacetone in the presence of HCl gives the new chiral bis(phosphaadamantyl)propane ligand (bpap) (1) as a mixture of diastereoisomers. Recrystallization from ethanol gives a mixture enriched in rac diastereoisomer (90% rac/10% meso). The enriched mixture reacts with [RuHCl(PPh3)(3)] in refluxing THF to give [RuHCl(bpap)(PPh3)] (2) in 73% yield. Compound 2 reacts readily with chiral diamines giving octahedral trans-[RuHCl(bpap)(diamine)] complexes 3 (diamine = (1R,2R)-1,2-diaminocyclohexane) and 4 (diamine = (1R,2R)-1,2-diphenylethylenediamine). Compounds 3 and 4 are very active catalysts for H-2-hydrogenation of neat acetophenone in the presence of (KOBu)-Bu-t as a strong base under mild conditions (room temperature, 3 atm of H-2). The low ee values for 1-phenethanol can be attributed to the similar shapes of two terminal adamantoid cages and the flexible backbone of the bpap ligand. The structures of complexes 2 and 3 have been determined by single-crystal X-ray diffraction. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.11.018