[(C5Me5)IrCl(piridine-2-acetate)] | 1004996-57-9

• 英文名称: [(C5Me5)IrCl(piridine-2-acetate)]
• 英文别名: [(C5Me5)IrCl(2-pyridylacetate)]
• CAS: 1004996-57-9
• 化学式: C₁₇H₂₁ClIrNO₂
• 分子量: 499.032
• InChiKey: WVPQLAAPTUPFGS-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  [(C5Me5)IrCl(piridine-2-acetate)] 、 水 在 六氟磷酸银 作用下， 以 水 为溶剂， 生成 [(C5Me5)Ir(water)(pyridine-2-acetate)](1+)
  参考文献：
  名称：

  Coordination Chemistry of a Model for the GP Cofactor in the Hmd Hydrogenase:  Hydrogen-Bonding and Hydrogen-Transfer Catalysis

  摘要：

  Cp*M2+ complexes (M = Rh, Ir; CP* = C5Me5) are described for 6-(carboxymethyl)-4-methyl-2-hydroxypyridine (cmhpH(2)), an analogue of the guanylylpyridone cofactor in the hydrogenase Hmd.. Three findings indicate that Cp*M(Hcmhp)(+) stabilizes the binding of hydrogen-bond acceptors to the sixth coordination site: (i) water binds in preference to Cl-, (ii) the adduct Cp*Rh(cmhp)(2-hydroxypyridine) exhibits a very short intramolecular hydrogen bond (r(o-o) = 2.38 angstrom; H-1 NMR delta(H) 17.2), and (iii) Cp*lr(cmhpH)Cl efficiently catalyzes the dehydrogenation of PhCH(OH)Me to PhC(O)Me.

  DOI：

  10.1021/ic7018692