(N(C6H3(Me)P(i-Pr)2)2)Ir(H)(benzyl)(pyridine) | 1003050-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (N(C6H3(Me)P(i-Pr)2)2)Ir(H)(benzyl)(pyridine)
• CAS: 1003050-61-0
• 化学式: C₃₈H₅₃IrN₂P₂
• 分子量: 792.02
• InChiKey: RECKTEJNBOMDDX-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

• 作为反应物：
  描述：

  (N(C6H3(Me)P(i-Pr)2)2)Ir(H)(benzyl)(pyridine) 以 not given 为溶剂， 生成 (N(C6H3(Me)P(i-Pr)2)2)Ir(H)(p-tolyl)(pyridine)
  参考文献：
  名称：

  C−H Oxidative Addition to a (PNP)Ir Center and Ligand-Induced Reversal of Benzyl/Aryl Selectivity

  摘要：

  The (PNP)Ir fragment displays a thermodynamic preference for the oxidative addition of aromatic vs benzylic C-H bonds. However, in the case of the mesitylene activation products, the benzylic isomer is kinetically accessible and can be trapped by an external donor ligand. The preference for the benzylic isomer in the six-coordinate Ir(III) adduct of mesitylene activation is ascribed to steric factors.

  DOI：

  10.1021/om701110y
• 作为产物：
  描述：

  (N(C6H3(Me)P(i-Pr)2)2)Ir(H)(p-tolyl)(pyridine) 以 not given 为溶剂， 以0%的产率得到(N(C6H3(Me)P(i-Pr)2)2)Ir(H)(benzyl)(pyridine)
  参考文献：
  名称：

  C−H Oxidative Addition to a (PNP)Ir Center and Ligand-Induced Reversal of Benzyl/Aryl Selectivity

  摘要：

  The (PNP)Ir fragment displays a thermodynamic preference for the oxidative addition of aromatic vs benzylic C-H bonds. However, in the case of the mesitylene activation products, the benzylic isomer is kinetically accessible and can be trapped by an external donor ligand. The preference for the benzylic isomer in the six-coordinate Ir(III) adduct of mesitylene activation is ascribed to steric factors.

  DOI：

  10.1021/om701110y