[(C5Me5)Ir(CH3CN)(NCMe2CH2OCC6H4C(Ph)=C(Ph))]PF6 | 1219034-17-9

• 英文名称: [(C5Me5)Ir(CH3CN)(NCMe2CH2OCC6H4C(Ph)=C(Ph))]PF6
• CAS: 1219034-17-9
• 化学式: C₃₇H₄₀IrN₂O*F₆P
• 分子量: 865.922
• InChiKey: JAIWXFIDWOFIMO-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：
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• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [(C5Me5)Ir(CH3CN)(4,4-dimethyl-2-oxazolinylbenzene(-1H))]PF6 、 二苯基乙炔 以 二氯甲烷 为溶剂， 以76%的产率得到[(C5Me5)Ir(CH3CN)(NCMe2CH2OCC6H4C(Ph)=C(Ph))]PF6
  参考文献：
  名称：

  Reactions of Cyclometalated Oxazoline Half-Sandwich Complexes of Iridium and Ruthenium with Alkynes and CO

  摘要：

  The ligand 4,4-dimethyl-2-oxazolinylbenzene is easily cyclometalated by [IrCl2Cp*](2) or [RuCl(MeCN)(2)(p-cymene)]PF6 in the presence of sodium acetate. In the case of iridium the resultant complex dissolves in acetonitrile in the presence of KPF6 to give an acetonitrile-coordinated cationic complex. The analogous complex is formed directly in the ruthenium cyclometalation reaction. These labile cationic complexes undergo insertion reactions with internal and terminal alkynes. Internal alkynes give only monoinsertion products, whereas terminal alkynes give mono- or di-insertion products. The cations will also react with CO, but no insertion occurs in this case.

  DOI：

  10.1021/om901088v