Zn(5,15-di(ortho-aminophenyl)-2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin)(imidazole) | 1299327-16-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Zn(5,15-di(ortho-aminophenyl)-2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin)(imidazole)
• CAS: 1299327-16-4
• 化学式: C₅₅H₆₆N₈Zn
• 分子量: 904.573
• InChiKey: LUZLAMCWOUYQIE-AVALUQKUSA-N

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

• 作为产物：
  描述：

  咪唑 、 zinc(II) 5,15-di(ortho-aminophenyl)-2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin 以 苯 为溶剂， 生成 Zn(5,15-di(ortho-aminophenyl)-2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin)(imidazole)
  参考文献：
  名称：

  Coordination properties of zinc 5,15-di(ortho-aminophenyl)octaalkylporphyrin in reactions with mono- an dibasic nitrogen bases

  摘要：

  The coordination properties of zinc 5,15-di(ortho-aminophenyl)octaalkylporphyrin in reactions with mono- and dibasic nitrogen bases in benzene are studied by means of computational modeling and spectrophotometric titration. The stability of molecular zinc porphyrinate complexes in solution is estimated and their structure is determined. The correlation between the coordination properties of the compound under investigation and electronic and conformational factors of the macrocycle is established. The base nature is shown to affect the stability of zinc porphyrinate complexes. The correlations between the calculated sigma bond energy of the zinc atom with the nitrogen atom of the base (E (b)) and the equilibrium constant of the axial coordination reaction are obtained. It is demonstrated that the reaction is accompanied by an increase in steric hindrance and a change in the type of deformation of the porphyrin ligand.

  DOI：

  10.1134/s0036023610100141