| 949925-18-2

• CAS: 949925-18-2
• 化学式: C₁₇H₂₇Cl₂IrN₂
• 分子量: 522.541
• InChiKey: VRRQYFVVFLRLTA-UHFFFAOYSA-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：

  六氟磷酸钾 、 以 乙腈 为溶剂， 生成 、
  参考文献：
  名称：

  Ir(III)-Induced C-Bound to N-Bound Tautomerization of a N-Heterocyclic Carbene

  摘要：

  An iridium N-heterocyclic carbene (NHC) complex with a rare hydrogen wing tip was obtained via C-N bond cleavage. The C-bound to N-bound tautomerization of this carbene cannot be achieved in this neutral 18-electron Ir(III) complex. Chloride abstraction in MeCN afforded an NHC-acetimidamide complex, where the N-bound to C-bound tautomerization of this carbene was observed in CDCl3 at 110 degrees C. Crystal structures of iridium complexes with these rare ligands were reported.

  DOI：

  10.1021/om700498w
• 作为产物：
  描述：

  N-丁基咪唑 、 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 以 二氯甲烷 为溶剂， 以93%的产率得到
  参考文献：
  名称：

  Ir(III)-Induced C-Bound to N-Bound Tautomerization of a N-Heterocyclic Carbene

  摘要：

  An iridium N-heterocyclic carbene (NHC) complex with a rare hydrogen wing tip was obtained via C-N bond cleavage. The C-bound to N-bound tautomerization of this carbene cannot be achieved in this neutral 18-electron Ir(III) complex. Chloride abstraction in MeCN afforded an NHC-acetimidamide complex, where the N-bound to C-bound tautomerization of this carbene was observed in CDCl3 at 110 degrees C. Crystal structures of iridium complexes with these rare ligands were reported.

  DOI：

  10.1021/om700498w