[(1,3-η5,κP,κP-C5Me3[CH2C6F4-2-PPhCH2]2)RhCl](1+) | 877785-79-0

• 英文名称: [(1,3-η5,κP,κP-C5Me3[CH2C6F4-2-PPhCH2]2)RhCl](1+)
• CAS: 877785-79-0
• 化学式: C₃₆H₂₇ClF₈P₂Rh
• 分子量: 811.904
• InChiKey: TXLGXUKZFCVIGZ-XJTUEGPUSA-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

• 作为产物：
  描述：

  dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 1,2-bis((pentafluorophenyl)phenylphosphino)ethane 以 苯 为溶剂， 生成 trans-[(η5,κP,κP-C5Me4CH2C6F4-2-PPhCH2CH2PPh(C6F5))RhCl](1+) 、 [(1,3-η5,κP,κP-C5Me3[CH2C6F4-2-PPhCH2]2)RhCl](1+) 、 [(1,2-η5,κP,κP-C5Me3[CH2C6F4-2-PPhCH2]2)RhCl](1+)
  参考文献：
  名称：

  1,2-Bis{(pentafluorophenyl)phenylphosphino}ethane:  A Probe for Configurational Stability in Three-Legged Piano Stool Complexes

  摘要：

  The pentafluorophenyl-substituted diphosphine (C6F5)PhPCH2CH2PPh(C6F5) has been prepared, as a 1: 1.7 mixture of rac (1a) and meso (1b) isomers, in four steps from dppe. The reaction between [Cp*RhCl-(mu-Cl)](2) and 1 in the presence of tetrafluoroborate yielded a mixture of racemic diastereoisomers of [Cp*RhCl(kappa P,kappa P-1a)][BF4] (4a center dot BF4) and trans and cis isomers of [Cp*RhCl(kappa P,kappa P-1b)][BF4] (4b center dot BF4 and 4c center dot BF4, respectively). On addition of Proton Sponge, 4a and 4c, in which at least one pentafluorophenyl group is close to the pentamethylcyclopentadienyl ligand, underwent rapid dehydrofluorinative carbon-carbon coupling giving trans- and cis-[{eta(5), kappa P,kappa P-C5Me4CH2C6F4-2-PPhCH2CH2PPh(C6F5)}RhCl](+) (5 and 6), respectively. The latter underwent further dehydrofluorinative carbon-carbon coupling to give two isomers of [{eta(5) kappa P,kappa P-C5Me3[CH2C6F4-2-PPhCH2](2)}RhCl](+) (7). Isomerization of 4b to 4c was observed in chloroform and dimethlysulfoxide. Neither isomerization of 4a to 4b or 4c nor isomerization of 5 to 6 was observed at ambient or elevated temperature in dimethyl sulfoxide. The results provide the first evidence that complexes of eta(5),kappa P,kappa L-cyclopentadienyl-phosphine-donor ligands are configurationally stable at high temperature.

  DOI：

  10.1021/om050893+