Cp*Ir[CH(COOCH3)2][κ2(N,C)-(NH2C(C6H5)2-2-C6H4)] | 1033052-08-2

• 英文名称: Cp*Ir[CH(COOCH3)2][κ2(N,C)-(NH2C(C6H5)2-2-C6H4)]
• CAS: 1033052-08-2
• 化学式: C₃₄H₃₈IrNO₄
• 分子量: 716.9
• InChiKey: VRCLFTXVKPFSJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  (1,2,3,4,5-pentamethylcyclopentadienyl)Ir-[κ²(N,C)-(NHC(C₆H₅₎₂-2-C₆H₄)] 、 丙二酸二甲酯 以 二氯甲烷 为溶剂， 以84%的产率得到Cp*Ir[CH(COOCH3)2][κ2(N,C)-(NH2C(C6H5)2-2-C6H4)]
  参考文献：
  名称：

  Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands

  摘要：

  A series of 16-electron Cp*Ir amide complexes with C-N chelating ligands, Cp*Ir[kappa(2)(NC)-(NHCR2-2-C6H4)] (2a: R = C6H5, 2b: R = CH3) and the chiral version, Cp*Ir[kappa(2)(N,C)-(R)-{NHCH(CH3)-2-C10H6}] (2e), were obtained in good to excellent yields from reactions of 18-electron iridium amine complexes, Cp*IrCl[kappa(2)(N,C)-(NH2CR2-2-C6H4)] (1a: R = C6H5, 1b: R = CH3) and Cp*IrCl[kappa(2)(N,C)-(R)-{NH2CH(CH3)-2-C10H6}] (le), with a base. The amido complexes 2 readily reacted with 2-propanol to convert into hydrido(amine) complexes 3 in almost quantitative yields. The chiral amido complex has proven to serve as an efficient catalyst for asymmetric transfer hydrogenation of acetophenone with 2-propanol, giving 1-phenylethanol with a moderate ee. The Bronsted basicity on the metal-NH moiety in the amido complexes was evaluated by deprotonation of acetic acid, dimethyl malonate, and acetone, leading to the corresponding acetato(amine) complex 4 and alkyl(amine) complexes 5 and 6, respectively, indicating that the amido-Ir complexes bearing the C-N chelate have more basic properties than those with N-sulfonylated diamine ligands.

  DOI：

  10.1021/om800124f