[(C5Me5)IrCl(6-(carboxymethyl)-4-methyl-2-hydroxypyridine(-H))] | 1004996-55-7

• 英文名称: [(C5Me5)IrCl(6-(carboxymethyl)-4-methyl-2-hydroxypyridine(-H))]
• CAS: 1004996-55-7
• 化学式: C₁₈H₂₃ClIrNO₃
• 分子量: 529.059
• InChiKey: OUZVVIYKPBTRKN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(C5Me5)IrCl(6-(carboxymethyl)-4-methyl-2-hydroxypyridine(-H))] 、 水 以 水 为溶剂， 生成 [(C5Me5)Ir(water)(6-(carboxymethyl)-4-methyl-2-hydroxypyridine(-H))](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
• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 6-(羧甲基)-4-甲基-2-羟基吡啶 以 not given 为溶剂， 生成 [(C5Me5)IrCl(6-(carboxymethyl)-4-methyl-2-hydroxypyridine(-H))]
  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