| 163237-61-4

• CAS: 163237-61-4
• 化学式: C₃₆H₁₇ClF₁₈P₂Rh*Cl
• 分子量: 1027.26
• InChiKey: XKKWEANWBGQBGV-JDZPWVRUSA-L

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：

  、 氟硼酸钾 以 水 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Carbon–fluorine and –hydrogen bond activation and carbon–carbon bond formation in η⁵-pentamethylcyclopentadienyl-rhodium and -iridium phosphine complexes; crystal structures of [M(η⁵-C₅Me₅)Cl{(C₆F₅)₂PCH₂CH₂P(C₆F₅)₂}]⁺BF₄^–(M = Rh or Ir)

  摘要：

  The reaction between [{M(eta(5)-C(5)Me(5))Cl(mu-Cl)}(2)] (M = Ph or Ir) and (C6F5)(2)PCH2CH2P(C6F5)(2) (dfppe) in refluxing benzene yielded the cationic species [M{eta(5)-C(5)Me(3)[CH2C6F4P(C6F5)CH2](2)-1,3}Cl](+) in which two C-F and two C-H bonds have been cleaved and two C-C bonds formed; HF is also produced. The complexes [M(eta(5)-C(5)Me(5))Cl(dfppe)](BF4-)-B-+ (M = Ph or Ir), which have not undergone C-F bond activation, were formed by treatment of [{M(eta(5)-C(5)Me(5))Cl(mu-Cl)}(2)] with NH4BF4 and dfppe, and have been structurally characterized by X-ray crystallography. Activation of the C-F bonds in these complexes is induced by thermolysis in refluxing ethanol. The reaction between [{M(eta(5)-C(5)Me(5))Cl(mu-Cl)}(2)] (M = Rh or Ir) and dfppe in refluxing ethanol yielded a mixture of the cations [M(eta(5)-C(5)Me(5))Cl(dfppe)](+), [M{eta(5)-C(5)Me(3)[CH2C6F4P(C6F5)CH2C6F4P(C6F5)CH2](2)-1,3}Cl](+) and, where M = Rh, the singly C-F bond-activated species [Rh{eta(5)-C(5)Me(4)CH(2)C(6)F(4)P(C6F5)CH2-CH2P(C6F5)(2)}Cl](+).

  DOI：

  10.1039/dt9960003215
• 作为产物：
  描述：

  dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 1,2-双(二五氟代苯基磷基)-乙烷 以 苯 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Cleavage of both alkyl C–H bonds and aryl C–F bonds and concomitant C–C bond formation in a pentamethylcyclopentadienylrhodium phosphine complex: X-ray structure of [η⁵-C₅Me₃[CH₂C₆F₄P(C₆F₅)CH₂]₂-1,3}RhCl]⁺BF₄^–

  摘要：

  双（二五氟苯基膦）乙烷（dfppe）与[{(δ-5-C5Me5)RhCl(µ-Cl)}2]发生反应，裂解两个 CâF 键和两个 CâH 键，形成两个 CâC 键，生成离子复合物 1a。

  DOI：

  10.1039/c39950000191