| 244260-50-2

• CAS: 244260-50-2
• 化学式: C₃₃H₃₄IrNOP*F₆P
• 分子量: 828.797
• InChiKey: RMOMPTQTPIDSSD-ONEVTFJLSA-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：

  以 二氯甲烷 为溶剂， 以73%的产率得到
  参考文献：
  名称：

  Direct Observation of Reversible C(sp³)−H Bond Activation. Characterization of the Structures of Both Ir Complexes before and after C−H Bond Activation by Using a Flexible P−N Heterochelate Hybrid Ligand

  摘要：

  Direct observation of reversible C-H bond activation of a C(sp(3))-H bond is shown for the Ir(I) complex 2a, which has a coordinatively flexible heterochelate hybrid PNn=1 ligand (la). Full characterization data for the Ir(I) and Ir(III) complexes, including their X-ray structures and estimation of the thermodynamic and kinetic parameters for the C-H bond activation, are provided.

  DOI：

  10.1021/om990443f
• 作为产物：
  描述：

  六氟磷酸银 、 o-Ph2PC6H4CH2OCH2C5H4N-2 、 bis(1,5-cyclooctadiene)diiridium(I) dichloride 以 乙醇 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  Direct Observation of Reversible C(sp³)−H Bond Activation. Characterization of the Structures of Both Ir Complexes before and after C−H Bond Activation by Using a Flexible P−N Heterochelate Hybrid Ligand

  摘要：

  Direct observation of reversible C-H bond activation of a C(sp(3))-H bond is shown for the Ir(I) complex 2a, which has a coordinatively flexible heterochelate hybrid PNn=1 ligand (la). Full characterization data for the Ir(I) and Ir(III) complexes, including their X-ray structures and estimation of the thermodynamic and kinetic parameters for the C-H bond activation, are provided.

  DOI：

  10.1021/om990443f