| 1391992-58-7

• CAS: 1391992-58-7
• 化学式: BF₄*C₃₆H₃₂IrN₄O₂
• 分子量: 831.7
• InChiKey: YVPQJGKFMVAQGG-JXNOXZOESA-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

• 作为产物：
  描述：

  四氟硼酸双（乙腈）（1,5-环辛二烯）铱（I） 、 3-氨基-2-氯-6-三氟甲基吡啶 以 乙腈 为溶剂， 反应 8.0h， 以106 mg的产率得到
  参考文献：
  名称：

  Carbon Monoxide Induced Double Cyclometalation at the Iridium Center

  摘要：

  Bubbling of CO into a dichloromethane solution of [Ir(COD)(CH3CN)(2)][BF4] followed by the addition of 2-phenyl-1,8-naphthyridine (LH) at room temperature results in the bis-cyclometalated Ir-III complex [Ir(C boolean AND N)(2)(CO)(LH)][BF4] (C boolean AND N = L). The observed cyclometalation contradicts the classical role of CO, which is to hinder oxidative addition by lowering electron density on the metal. DFT calculations reveal that the first cyclometalation involves oxidative addition of the ligand. Subsequently, preferential elimination of dihydrogen affords the bis-cyclometalated Ir-III complex. electrophilic activation of the second ligand followed by

  DOI：

  10.1021/om300506v