trans-carbonyldihydridoruthenium(II)(P(cyclopentyl)2(η2-cyclopent-3-en-1-yl))(tricyclopentylphosphine) | 1071229-07-6

• 英文名称: trans-carbonyldihydridoruthenium(II)(P(cyclopentyl)2(η2-cyclopent-3-en-1-yl))(tricyclopentylphosphine)
• 英文别名: carbonyldihydridoruthenium(II)(P(cyclopentyl)2(η2-cyclopent-3-en-1-yl))(tricyclopentylphosphine)
• CAS: 1071229-07-6
• 化学式: C₃₁H₅₄OP₂Ru
• 分子量: 605.787
• InChiKey: CZQRRUOGXNIPAV-UHFFFAOYSA-N

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：

  trans-carbonyldihydridoruthenium(II)(P(cyclopentyl)2(η2-cyclopent-3-en-1-yl))(tricyclopentylphosphine) 、 氢气 以 not given 为溶剂， 生成 Ru(H)2(η2-H2)(CO)(tricyclohexylphosphine)2
  参考文献：
  名称：

  Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols

  摘要：

  The carbonylruthenium(0) complex Ru(CO){PCyp(2)(eta(2)-C5H7)}(2) (4) has been prepared by reaction of RuH2 {PCyp(2)(eta(2)-C5H7)}(2) (3) with an excess of tert-butylethylene in the presence of ethanol. Decarbonylation of ethanol is also observed when reacting the bis(dihydrogen) complex RuH2(eta(2)-H-2)(2)(PCyp(3))(2) (1) with 2 equiv of ethanol. The reaction results formally in the substitution of one dihydrogen ligand by a carbonyl, and the corresponding complex RuH2(eta(2) H-2)(CO)(PCyp(3))(2) (5) was isolated. An excess of tert-butylethylene reacted with 5 to give RuH2(CO) {PCyp(2)(eta(2)-C5H7)}(PCyp(3)) (6), which corresponds to the formal loss of 2 equiv of dihydrogen: loss of the dihydrogen ligand and dehydrogenation of one cyclopentyl ring. The dihydride 6 can be dehydrogenated further by reaction with ethylene, affording the ruthenium(0) complex Ru(eta(2)-C2H4)(CO){PCyp(2)(eta(2)-C5H7)}(PCyp(3)) (7). Finally, the dicarbonyl complex RuH2(CO)(2)(PCyp(3))(2) (8) was isolated by exposing I to 3 bar of CO. 8 and the new complexes 4-7, resulting from partial dehydrogenation of one or two cyclopentyl rings of the tricyclopentylphosphines and/or decarbonylation of alcohol, were characterized by multinuclear NMR, IR, elemental analysis, and X-ray diffraction.

  DOI：

  10.1021/om8005118
• 作为产物：
  描述：

  Ru(H)2(η2-H2)(CO)(tricyclohexylphosphine)2 在 3,3-二甲基-1-丁烯 作用下， 以 正戊烷 为溶剂， 以77%的产率得到trans-carbonyldihydridoruthenium(II)(P(cyclopentyl)2(η2-cyclopent-3-en-1-yl))(tricyclopentylphosphine)
  参考文献：
  名称：

  Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols

  摘要：

  The carbonylruthenium(0) complex Ru(CO){PCyp(2)(eta(2)-C5H7)}(2) (4) has been prepared by reaction of RuH2 {PCyp(2)(eta(2)-C5H7)}(2) (3) with an excess of tert-butylethylene in the presence of ethanol. Decarbonylation of ethanol is also observed when reacting the bis(dihydrogen) complex RuH2(eta(2)-H-2)(2)(PCyp(3))(2) (1) with 2 equiv of ethanol. The reaction results formally in the substitution of one dihydrogen ligand by a carbonyl, and the corresponding complex RuH2(eta(2) H-2)(CO)(PCyp(3))(2) (5) was isolated. An excess of tert-butylethylene reacted with 5 to give RuH2(CO) {PCyp(2)(eta(2)-C5H7)}(PCyp(3)) (6), which corresponds to the formal loss of 2 equiv of dihydrogen: loss of the dihydrogen ligand and dehydrogenation of one cyclopentyl ring. The dihydride 6 can be dehydrogenated further by reaction with ethylene, affording the ruthenium(0) complex Ru(eta(2)-C2H4)(CO){PCyp(2)(eta(2)-C5H7)}(PCyp(3)) (7). Finally, the dicarbonyl complex RuH2(CO)(2)(PCyp(3))(2) (8) was isolated by exposing I to 3 bar of CO. 8 and the new complexes 4-7, resulting from partial dehydrogenation of one or two cyclopentyl rings of the tricyclopentylphosphines and/or decarbonylation of alcohol, were characterized by multinuclear NMR, IR, elemental analysis, and X-ray diffraction.

  DOI：

  10.1021/om8005118