[(tetraphenylporphyrin)Fe(III)(4-methylimidazole)2]PF6 | 1008132-26-0

• 英文名称: [(tetraphenylporphyrin)Fe(III)(4-methylimidazole)2]PF6
• CAS: 1008132-26-0
• 化学式: C₅₂H₄₀FeN₈*F₆P
• 分子量: 977.754
• InChiKey: VWEDSKOXFDRAJS-GVHKZQBISA-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

• 作为反应物：
  描述：

  [(tetraphenylporphyrin)Fe(III)(4-methylimidazole)2]PF6 在 tetrabutylammonium ascorbate or ascorbate-d 作用下， 以 乙腈 为溶剂， 生成 (tetraphenylporphyrin)Fe(II)(4-methylimidazole)2
  参考文献：
  名称：

  Hydrogen Atom Transfer Reactions of Iron−Porphyrin−Imidazole Complexes as Models for Histidine-Ligated Heme Reactivity

  摘要：

  Hydrogen atom transfer (HAT) reactions of the bis(histidine) cytochrome active site models (TPP)Fe-II(ImH)(2) (Fe(II)ImH) and (TPP)Fe(Im)(ImH) (Fe(III)Im) have been examined in acetonitrile solvent (TPP = tetraphenylparphyrin, ImH = 4-methylimidazole). The ascorbate derivative 5,6-isopropylidine ascorbate, hydroquinone, and the hydroxylamine TEMPOH all rapidly add H-center dot to Fe(III)Im to give Fe(II)ImH. Similarly, the phenoxyl radical 2,4,6-(Bu3C6H2O center dot)-Bu-t and excess TEMPO center dot each oxidize Fe(II)ImH to give Fe(III)Im. On the basis of redox potential, pK(a), and equilibrium measurements, the N-H bond in Fe(II)ImH was found to have a bond dissociation free energy (BDFE) of 70 +/- 2 kcal mol(-1). A hydrogen atom transfer mechanism (concerted transfer of e(-) and H+) is indicated based on data for the ascorbate and TEMPO center dot reactions.

  DOI：

  10.1021/ja711057t