| 918344-65-7

• CAS: 918344-65-7
• 化学式: C₃₀H₄₈IrNOP₂
• 分子量: 692.885
• InChiKey: MMMZHPJIFPXSEA-IOSNCUJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 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：

  hydrido(2,6-bis(di-tert-butylphosphinomethyl)pyridine)phenyliridium(I) hexafluorophosphate 、 一氧化碳 在 t-BuOK 作用下， 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Metal−Ligand Cooperation in C−H and H₂ Activation by an Electron-Rich PNP Ir(I) System:  Facile Ligand Dearomatization−Aromatization as Key Steps

  摘要：

  Unusual reactions are reported, in which the aromatic PNP ligand (PNP = 2,6-bis-(di-tert-butylphosphinomethyl)pyridine) acts in concert with the metal in the activation of H2 and benzene, via facile aromatization/dearomatization processes of the ligand. A new, dearomatized electron-rich (PNP*)Ir(I) complex 2 (PNP* = deprotonated PNP) activates benzene to form the aromatic (PNP)Ir(I)Ph 4, which upon treatment with CO undergoes a surprising oxidation process to form (PNP*)Ir(III)(H)CO 6, involving proton migration from the ligand "arm" to the metal, with concomitant dearomatization. 4 undergoes stereoselective activation of H2 to exclusively form the trans-dihydride 7, rather than the expected cis-dihydride complex. Our evidence, including D-labeling, suggests the possibility that the Ir(I)-Ph complex is transformed to the dearomatized Ir(III)(Ph)(H) (independently prepared at low temperature), which may be the actual intermediate undergoing H2 activation.

  DOI：

  10.1021/ja066411i