(tetraphenylporphyrin)Fe(II)(4-methylimidazole)(4-methylimidazolato)(1-) | 1008132-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (tetraphenylporphyrin)Fe(II)(4-methylimidazole)(4-methylimidazolato)(1-)
• CAS: 1008132-28-2
• 化学式: C₅₂H₃₉FeN₈
• 分子量: 831.782
• InChiKey: HGRRPRGRYNGPDL-NBICUONBSA-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：

  (tetraphenylporphyrin)Fe(II)(4-methylimidazole)2 在 1,8-diazabicyclo[5.4.0]undec-7-ene 作用下， 以 not given 为溶剂， 生成 (tetraphenylporphyrin)Fe(II)(4-methylimidazole)(4-methylimidazolato)(1-)
  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