(cyclopentadienyl)Ru(η(2)-O2CCF3)(PPh3) | 198084-29-6

• 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: (cyclopentadienyl)Ru(η(2)-O2CCF3)(PPh3)
• 英文别名: cyclopenta-1,3-diene;ruthenium(2+);2,2,2-trifluoroacetate;triphenylphosphane
• CAS: 198084-29-6
• 化学式: C₂₅H₂₀F₃O₂PRu
• 分子量: 541.472
• InChiKey: PSJBNPVCQAIYOI-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：

  (cyclopentadienyl)Ru(η(2)-O2CCF3)(PPh3) 、 三苯基膦 以 甲苯 为溶剂， 以70%的产率得到(cyclopentadienyl)Ru(η(1)-O2CCF3)(PPh3)2
  参考文献：
  名称：

  Cyclopentadienyl— und Pentamethylcyclopentadienyl—Rutheniumkomplexe mit Carboxylat-, Vinylester- und Carben-Liganden

  摘要：

  Monomeric carboxylatoruthenium(II) complexes [C5R5Ru(eta(2)-O2CR')(PPh3)] (R = H, Me; R' = Me, Bu-t, CF3) were prepared by ligand displacement from [(C5R5)Ru(eta(3)-2-MeC3H4)(PPh3)] and R'CO2H. From a similar route, the tosylato and pentachlorphenolato derivatives [C5H5Ru{O2SO(p-C6H4Me)}(PPh3)](n) and [C5H5Ru(eta(2)-OC6Cl5)(PPh3)] were obtained. On treatment with PhNH2, CO, PPh3 and O-2, they reacted to give the complexes [C5H5Ru{O2SO(p-C6H4Me)}(L)(PPh3)] and [C5H5Ru(OC6Cl5(CO)(PPh3)] respectively. The reaction of [C5R5Ru(eta(2)-O2CRt)(PPh3)] (R' = Me, Bu-t) with terminal alkynes HC=CR (R = CO2Me, Ph) yielded the vinylesterruthenium(II) compounds [C5H5Ru(kappa(2)(C,O)-C(=CHR)OC(R')=O}(PPh3)] for which a resonance structure involving a carboxylato(vinylidene) species is postulated. The carbene half-sandwich type complexes [C5H5RuCl(=CRR')(PPh3)] (R and R' = C6H4X) were prepared in two steps from [C5H5Ru(eta(2)-O2CMe)(PPh3)], N2CRR' and either Al2O3/Cl- or Et3NHCl. The molecular structure of [C5Me5Ru(eta(2)-(O2CBu)-Bu-t)(PPh3)] and [C5H5RuCl(=CPh2)(PPh3)] have been determined by X-ray single-crystal structural investigations.

  DOI：

  10.1016/s0022-328x(97)00045-4
• 作为产物：
  描述：

  cyclopenta-1,3-diene;2-methanidylprop-1-ene;ruthenium(2+);triphenylphosphane 、 三氟乙酸 以 甲苯 为溶剂， 以88%的产率得到(cyclopentadienyl)Ru(η(2)-O2CCF3)(PPh3)
  参考文献：
  名称：

  Cyclopentadienyl— und Pentamethylcyclopentadienyl—Rutheniumkomplexe mit Carboxylat-, Vinylester- und Carben-Liganden

  摘要：

  Monomeric carboxylatoruthenium(II) complexes [C5R5Ru(eta(2)-O2CR')(PPh3)] (R = H, Me; R' = Me, Bu-t, CF3) were prepared by ligand displacement from [(C5R5)Ru(eta(3)-2-MeC3H4)(PPh3)] and R'CO2H. From a similar route, the tosylato and pentachlorphenolato derivatives [C5H5Ru{O2SO(p-C6H4Me)}(PPh3)](n) and [C5H5Ru(eta(2)-OC6Cl5)(PPh3)] were obtained. On treatment with PhNH2, CO, PPh3 and O-2, they reacted to give the complexes [C5H5Ru{O2SO(p-C6H4Me)}(L)(PPh3)] and [C5H5Ru(OC6Cl5(CO)(PPh3)] respectively. The reaction of [C5R5Ru(eta(2)-O2CRt)(PPh3)] (R' = Me, Bu-t) with terminal alkynes HC=CR (R = CO2Me, Ph) yielded the vinylesterruthenium(II) compounds [C5H5Ru(kappa(2)(C,O)-C(=CHR)OC(R')=O}(PPh3)] for which a resonance structure involving a carboxylato(vinylidene) species is postulated. The carbene half-sandwich type complexes [C5H5RuCl(=CRR')(PPh3)] (R and R' = C6H4X) were prepared in two steps from [C5H5Ru(eta(2)-O2CMe)(PPh3)], N2CRR' and either Al2O3/Cl- or Et3NHCl. The molecular structure of [C5Me5Ru(eta(2)-(O2CBu)-Bu-t)(PPh3)] and [C5H5RuCl(=CPh2)(PPh3)] have been determined by X-ray single-crystal structural investigations.

  DOI：

  10.1016/s0022-328x(97)00045-4