| 1068442-19-2

• CAS: 1068442-19-2
• 化学式: C₃₂H₄₂IrN₂P
• 分子量: 677.893
• InChiKey: FRIMXCGRXRXRFW-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：
  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：

  、 三氟甲烷磺酸甲酯 以 氘代苯 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Imidazol-2-yl Complexes of Cp*Ir as Bifunctional Ambident Reactants

  摘要：

  Loss of chloride ion from imidazol-2-yl complex 4a activates the H-H bond of dihydrogen or the C-H bond of actelyene, forming and Ir(III) N-heterocyclic (NHC) complex (3b or 9). Deprotonation of Ir(III) hydride 4b gives one new species, formulated as IR(I) carbene complex 5. Protonation or alkylation of 5 occurs at the metal, returning the IR(III) core of 6a,b. Deprotonation of cationic NHC complex 3a gives neutral imidazol-2-yl analogue 4a; as seen by X-ray diffraction, the Ir-C bond in 3a is shorter than that in 4a. These and other comparisons and interconversions of NHC complexes with an NH function and related imidazol-2-yl species expand the potential of NHC complexes by showing their bifunctional character.

  DOI：

  10.1021/ja804713u