iron(III) 5,10,15,20-tetramesitylporphyrin 3-chlorobenzoate | 104463-55-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: iron(III) 5,10,15,20-tetramesitylporphyrin 3-chlorobenzoate
• 英文别名: Fe(III)TMP(mCB)
• CAS: 104463-55-0
• 化学式: C₆₃H₅₆ClFeN₄O₂
• 分子量: 992.463
• InChiKey: DYDGZWOSEFFOMD-WSJWEZPUSA-M

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：
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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：

  iron(III) 5,10,15,20-tetramesitylporphyrin 3-chlorobenzoate 、 间氯过氧苯甲酸 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  铁（III）卟啉N-氧化物的制备和表征。

  摘要：

  DOI：

  10.1021/ja00284a059
• 作为产物：
  描述：

  iron(III) 5,10,15,20-tetramesitylporphyrin 4-methoxyphenolate 、 3-氯苯甲酸 以 二氯甲烷 为溶剂， 生成 iron(III) 5,10,15,20-tetramesitylporphyrin 3-chlorobenzoate
  参考文献：
  名称：

  Axial ligand exchange of iron(III) tetramesitylporphyrin phenolate complexes

  摘要：

  研究发现，一系列 5,10,15,20-四甲基卟啉苯酚铁（III）配合物的轴配体可与添加的羧酸和醇发生交换。研究发现，轴配体与羧酸的交换速率取决于羧酸的酸性、苯酚的碱性以及羧酸和苯酚轴配体的立体体积。研究发现，轴配体与醇的交换速率取决于醇的亲核性、酚酸酯的离去基团能力以及醇和酚酸酯轴配体的立体体积。针对羧酸和醇提出了不同的配体交换机制。

  DOI：

  10.1039/a902636c

文献信息

• Reactive iron porphyrin derivatives related to the catalytic cycles of cytochrome P-450 and peroxidase. Studies of the mechanism of oxygen activation
  作者：John T. Groves、Yoshihito. Watanabe

  DOI：10.1021/ja00233a021

  日期：1988.12

  Mecanisme d'oxydation de [Fe(III) TMP(X)] par des peracides. TMP=tetramesitylporphyrine; X=Cl, OH

  Mecanisme d'oxydation de [Fe(III) TMP(X)] par des peracides。TMP=四甲基卟啉；X=Cl，OH
• Acylperoxo-Iron(III) Porphyrin Complexes: A New Entry of Potent Oxidants for the Alkene Epoxidation
  作者：Kenji Machii、Yoshihito Watanabe、Isao Morishima

  DOI：10.1021/ja00130a007

  日期：1995.6

  Competitive epoxidation of norbornylene and alpha-methylstyrene by peracids in the presence of iron porphyrins has been carried out in methylene chloride and toluene at -78 degrees C. When (TMP)Fe-III(RCO(2)) (TMP = 5,10,15,20-tetramesitylporphyrin) is used as a catalyst in methylene chloride, selectivity of norbornylene oxide over alpha-methylstyrene oxide is almost identical even though a variety of peracids are used, since O=Fe(IV)TMP pi-cation radical 2a is the common oxidant in the reactions. On the other hand, the selectivity in the epoxidations catalyzed by (TDCPP)Fe-III(X) (TDCPP: 5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin is found to be dependent on the structure of peracids. The latter type of the results is also obtained for the reactions catalyzed both by (TMP)Fe-III(X) and by (TDCPP)Fe-III(X) in toluene. The dependence of the selectivity in the epoxidation on the structure of peracids is attributed to the alteration of the oxidant from 2 to peracid-Fe(III) complexes 1. The direct involvement of 1 in the epoxidation has been further confirmed by spectroscopic studies of the reactions. Under the catalytic epoxidation conditions at low temperature, the participation of 1 and 2 as the active species is controlled either by electronic structure of iron porphyrin complexes (push-pull effect) or by alteration of the solvent.