[Cp*Ir(Ph₂P{heptanoyl})Cl₂] | 1394232-43-9

• 英文名称: [Cp*Ir(Ph₂P{heptanoyl})Cl₂]
• CAS: 1394232-43-9
• 化学式: C₂₉H₃₈Cl₂IrOP
• 分子量: 696.72
• InChiKey: WFEPHAONIIKKJV-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

• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 1-(diphenylphosphino)heptan-1-one 以 四氢呋喃 为溶剂， 反应 2.0h， 以90%的产率得到[Cp*Ir(Ph₂P{heptanoyl})Cl₂]
  参考文献：
  名称：

  Site-Selective Alkyl Dehydrogenation of a Coordinated Acylphosphine Ligand

  摘要：

  Regio- and stereoselective alkane dehydrogenation is a difficult challenge in organometallic chemistry. Intermolecular reactions of this type typically produce numerous olefin stereo- and regioisomers. Herein, we report our initial investigations into the intramolecular dehydrogenation of a datively bound alkyl ligand, demonstrating the first example of a site-selective dehydrogenation of an unactivated acyclic alkyl group. The alkyl group is located on an acylphosphine ligand that is coordinated to a Cp*IrCl2 monomer. A mechanistic proposal, guided by the isolation of a dimeric iridium complex and supported by computational results, is also described.

  DOI：

  10.1021/om300471h