Fe(III)2(μ-OMe)2(1,3-bis(2-hydroxybenzamodo)butane)2 | 1166858-93-0

• 英文名称: Fe(III)2(μ-OMe)2(1,3-bis(2-hydroxybenzamodo)butane)2
• CAS: 1166858-93-0
• 化学式: C₃₈H₄₂Fe₂N₄O₁₀
• 分子量: 826.466
• InChiKey: CDGZZBWFZQCNQT-UHFFFAOYSA-J

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：

  trans-Fe(II)(N-MeIm)2(Cl)2(MeOH)2 、 在 air 作用下， 以 甲醇 为溶剂， 生成 Fe(III)2(μ-OMe)2(1,3-bis(2-hydroxybenzamodo)butane)2
  参考文献：
  名称：

  Synthesis and characterization of a family of binuclear non-heme iron monooxygenase model compounds: Evidence for a “phenolate/amide carbonyl (PAC) shift” upon oxidation

  摘要：

  A series of binuclear iron compounds has been synthesized using diamide, bis-phenolate ligands in which the carbon-linker between the amide nitrogen atoms has been varied. Two diferrous compounds in the series, Fe-2(II)(H(2)Hbach)(2)(N-MeIM)(2) and Fe-2(II)(H(2)Hbame)(2)(N-MeIM)(2) along with their two-electron oxidized, di-mu-methoxy-bridged counterparts, Fe-III(H(2)Hbach)(2)(OMe)(2) and Fe-III(H(2)Hbame)(2)(OMe)(2) have been crystallographically characterized, as have the di-mu-methoxy compounds Fe-2(III)(H(2)Hbap)(2)(OMe)(2); Fe-2(III)(H(2)Hbabn)(2)(OMe)(2) and Fe-2(III)(H(2)Hbapen)(2)(OMe)(2) (H(2)Hbab = 1,2-bis(2-hydroxybenzamido) benzene, H(2)Hbach = trans-1,2-bis(2-hydroxybenzamido) cyclohexane, H(2)Hbame = 1,2-bis(2-hydroxybenzamido) ethane, H(2)Hbap = 1,3-bis(2-hydroxybenzamido) propane, H(2)Hbabn = 1,4-bis(2-hydroxybenzamido) butane, H(2)Hbapen = 1,5-bis(2-hydroxybenzamido) pentane, N-MeIM = N-methylimidazole and OMe = methoxide). Fe-2(II)(H(2)Hbach)(2)(N-MeIM)(2) and Fe-2(II)(H(2)Hbame)(2)(N-MeIM)(2) are structurally very similar to previously reported diferrous compounds of this family of ligands that have been shown to be active as oxygen atom transfer catalysts. Flexibility in the carbon-linker allows some variability in the orientation of the phenolate arms of the ligands in the diferric di-mu-methoxy compounds, but the Fe2O2 core remains largely unchanged across the series. Two-electron oxidation of the ferrous compounds in methanol shows a substantial ligand rearrangement that is consistent with other spectroscopic, electrochemical and kinetic investigations. The loss of both phenolate bridges upon oxidation is reminiscent of the "carboxylate shift" observed in binuclear non-heme enzymes and could provide insight into the driving force behind this family of compounds' function as a catalyst. (c) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.09.036