zinc 5,15-(1,4-bis(2'-phenylenoxymethylene)-phenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrinate | 880071-58-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: zinc 5,15-(1,4-bis(2'-phenylenoxymethylene)-phenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrinate
• CAS: 880071-58-9
• 化学式: C₆₀H₆₆N₄O₂Zn
• 分子量: 940.6
• InChiKey: SMRFVQCNMWUSKD-WUOUVKDHSA-N

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：

  zinc 5,15-(1,4-bis(2'-phenylenoxymethylene)-phenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrinate 、 o-Xylol-hydroperoxid 在 imidazole 作用下， 以 邻二甲苯 为溶剂， 生成
  参考文献：
  名称：

  Kinetics of the reactions of “capped” zinc 5,15-(1,4-bis(2′-phenylenoxymethylene)-phenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrinate) with organic peroxides in o-xylene

  摘要：

  The reactions of "capped" zinc porphyrinate with organic peroxides were studied by spectrophotometry. The reaction rate constant was determined (0.417 s(-1) mol(-1) l(-1)). The variation of the imidazole concentration in the reaction mixture changed the composition of the reactants and increased the reaction rate by 1.3-5.3 times. The geometric characteristics of isolated molecules of the reactants and intermediates were obtained by the PM3 quantum-chemical method. The calculated structures of these compounds were flat and characterized by a distorted macrocycle. An increase in steric strains of the macrocycles of the molecular complex with imidazole and of the imidazole-containing reaction intermediates was shown.

  DOI：

  10.1134/s1070328411020114
• 作为产物：
  描述：

  、 zinc diacetate 以 苯 为溶剂， 生成 zinc 5,15-(1,4-bis(2'-phenylenoxymethylene)-phenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrinate
  参考文献：
  名称：

  Zaitseva; Zdanovich; Semeikin, Russian Journal of Inorganic Chemistry, 2005, vol. 50, # 11, p. 1798 - 1803

  摘要：

  DOI：