[IrH2(κ3-(t-Bu)2PC2H4NC2H4NEt2)] | 956295-74-2

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: [IrH2(κ3-(t-Bu)2PC2H4NC2H4NEt2)]
• CAS: 956295-74-2
• 化学式: C₁₆H₃₈IrN₂P
• 分子量: 481.685
• InChiKey: QBUDEBHTBUVLRT-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：

  [IrH2(κ3-(t-Bu)2PC2H4NC2H4NEt2)] 以 异丙醇 为溶剂， 以40%的产率得到[IrH2(κ2-(t-Bu)2PC2H4NHC2H4NEt2)]2(μ-H)2
  参考文献：
  名称：

  Hemilabile Pincer-Type Hydride Complexes of Iridium

  摘要：

  The ligand (Bu2PC2H4NHC2H4NEt2)-Bu-t (PNHN) was synthesized starting from 2-(diethylamino)ethyl chloride hydrochloride and ethanolamine. Reaction of PNHN with [IrCl(COE)(2)](2) under H-2 afforded the dihydride cis-IrH2Cl(kappa(3)-PNHN) (1) in excellent yield. Treatment of 1 with (BuOK)-Bu-t led to clean formation of the 16-electron amido complex IrH2(kappa(3)-PNN) (2). Hydrogenation of 2 in toluene or ethyl acetate produced the trihydride mer-IrH3(kappa(3)-PNHN) (3). This complex was unstable and dimerized to give [IrH2(kappa(2)-PNHN)](2)(mu-H)(2) (4) with uncoordinated NEt2 groups. The structures of 1 and 4 were established by X-ray crystallography. Complex 2 demonstrated good catalytic activity for transfer hydrogenation of acetophenone, cyclohexanone, and butanone.

  DOI：

  10.1021/om700550x
• 作为产物：
  描述：

  cis-[IrH2Cl(κ3-(t-Bu)2PC2H4NHC2H4NEt2)]*0.143C7H8 在 t-BuOK 作用下， 以 四氢呋喃 为溶剂， 以84%的产率得到[IrH2(κ3-(t-Bu)2PC2H4NC2H4NEt2)]
  参考文献：
  名称：

  Hemilabile Pincer-Type Hydride Complexes of Iridium

  摘要：

  The ligand (Bu2PC2H4NHC2H4NEt2)-Bu-t (PNHN) was synthesized starting from 2-(diethylamino)ethyl chloride hydrochloride and ethanolamine. Reaction of PNHN with [IrCl(COE)(2)](2) under H-2 afforded the dihydride cis-IrH2Cl(kappa(3)-PNHN) (1) in excellent yield. Treatment of 1 with (BuOK)-Bu-t led to clean formation of the 16-electron amido complex IrH2(kappa(3)-PNN) (2). Hydrogenation of 2 in toluene or ethyl acetate produced the trihydride mer-IrH3(kappa(3)-PNHN) (3). This complex was unstable and dimerized to give [IrH2(kappa(2)-PNHN)](2)(mu-H)(2) (4) with uncoordinated NEt2 groups. The structures of 1 and 4 were established by X-ray crystallography. Complex 2 demonstrated good catalytic activity for transfer hydrogenation of acetophenone, cyclohexanone, and butanone.

  DOI：

  10.1021/om700550x