[5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrinato]manganese(III) chloride | 286475-14-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrinato]manganese(III) chloride
• 英文别名: Aeol-10119
• CAS: 286475-14-7
• 化学式: C₃₆H₂₈MnN₁₂*Cl
• 分子量: 719.09
• InChiKey: GWBWERPTTPYEKS-PNXOXAAXSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  碘甲烷 、 [5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrinato]manganese(III) chloride 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Oxidation of styrene and of some derivatives with H2O2 catalyzed by novel imidazolium-containing manganese porphyrins: A mechanistic and thermodynamic interpretation

  摘要：

  The oxidation of styrene and derivatives with H2O2 catalyzed by manganese porphyrins in acetonitrile is described. The effect of the imidazolium substituent on the catalytic efficiency has been also considered. The thermodynamic analysis has indicated that enthalpy rules styrene oxidation when catalysts Mn(Porph)-1 and Mn(Porph)-2 are used whereas the entropy is the driven force for Mn(Porph)-3 and Mn(Porph)-4 catalyzed reactions. Interestingly, an enthalpy-entropy compensation phenomenon is observed when comparing the thermodynamic results obtained for catalysts Mn(Porph)-3 and Mn(Porph)-4. Hammett plots for the studied manganese porphyrins provided small rho-values, and this is typical for multi-step reactions, indicating that there is no significant charge separation in the transition state. For Mn(Porph)-1 and Mn(Porph)-2 the formation of multiple active species can be put forward whereas for Mn(Porph)-3 and Mn(Porph)-4 a concerted-type mechanism, via metalloxetane intermediate, fits well with the values obtained for those catalysts. The imidazolium-based catalysts have shown to be efficient catalysts in styrene and derivatives oxidation with hydrogen peroxide. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.05.013
• 作为产物：
  描述：

  5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrin 在 manganese(II) chloride tetrahydrate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [5,10,15,20-tetrakis(1-methylimidazol-2-yl)porphyrinato]manganese(III) chloride
  参考文献：
  名称：

  Oxidation of styrene and of some derivatives with H2O2 catalyzed by novel imidazolium-containing manganese porphyrins: A mechanistic and thermodynamic interpretation

  摘要：

  The oxidation of styrene and derivatives with H2O2 catalyzed by manganese porphyrins in acetonitrile is described. The effect of the imidazolium substituent on the catalytic efficiency has been also considered. The thermodynamic analysis has indicated that enthalpy rules styrene oxidation when catalysts Mn(Porph)-1 and Mn(Porph)-2 are used whereas the entropy is the driven force for Mn(Porph)-3 and Mn(Porph)-4 catalyzed reactions. Interestingly, an enthalpy-entropy compensation phenomenon is observed when comparing the thermodynamic results obtained for catalysts Mn(Porph)-3 and Mn(Porph)-4. Hammett plots for the studied manganese porphyrins provided small rho-values, and this is typical for multi-step reactions, indicating that there is no significant charge separation in the transition state. For Mn(Porph)-1 and Mn(Porph)-2 the formation of multiple active species can be put forward whereas for Mn(Porph)-3 and Mn(Porph)-4 a concerted-type mechanism, via metalloxetane intermediate, fits well with the values obtained for those catalysts. The imidazolium-based catalysts have shown to be efficient catalysts in styrene and derivatives oxidation with hydrogen peroxide. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.05.013

文献信息

• Substituted porphyrins
  申请人：Aeolus Sciences, Inc.

  公开号：US09289434B2

  公开（公告）日：2016-03-22

  The present invention relates, in general, to a method of modulating physiological and pathological processes and, in particular, to a method of modulating cellular levels of oxidants and thereby processes in which such oxidants are a participant. The invention also relates to compounds and compositions suitable for use in such methods.

  本发明一般涉及调节生理和病理过程的方法，特别涉及调节氧化剂的细胞水平以及包含这些氧化剂的过程的方法。该发明还涉及适用于这些方法的化合物和组合物。