[Zn((4-MeOPh)4octaethylporphyrinato)] | 862665-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Zn((4-MeOPh)4octaethylporphyrinato)]
• CAS: 862665-85-8
• 化学式: C₆₄H₆₈N₄O₄Zn
• 分子量: 1022.66
• InChiKey: LGVAWDSVHCFWTG-FBUGDNBDSA-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

• 作为产物：
  描述：

  3,4-二乙基吡咯 在 氢溴酸 、 四氯苯醌 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙腈 为溶剂， 反应 9.0h， 生成 [Zn((4-MeOPh)4octaethylporphyrinato)]
  参考文献：
  名称：

  Synthesis and spectrophotometric study of the acid-base and complexing properties of 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin in acetonitrile

  摘要：

  DOI：

  10.1134/s1070363214070287

文献信息

• Enthalpy—entropy compensation upon metal ion coordination with porphyrins: generalization for the free bases and doubly deprotonated macrocycles
  作者：M. M. Kruk、S. G. Pukhovskaya、Yu. B. Ivanova、O. I. Koifman

  DOI：10.1007/s11172-020-2868-6

  日期：2020.6

  Enthalpy—entropy compensation upon the coordination of zinc ions by porphyrins with various structural organizations of peripheral substitution in solutions at 298 K was studied. The same compensation temperature Tc was found for both free bases and doubly deprotonated porphyrin macrocycles. The data obtained indicate that the coordination of the metal ion in the tetrapyrrole macrocycle core by the free bases and doubly coordinated forms of porphyrins is characterized by the same promoting vibrational modes.

  在298 K下，研究了具有不同外围取代结构的卟啉配合锌离子时的焓-熵补偿。对于卟啉的自由碱形式和双脱质子化大环，均发现了相同的补偿温度Tc。所得数据显示，自由碱和双配位形式的卟啉在四吡咯大环核心中配位金属离子的过程具有相同的促进振动模式。
• Synthesis and inversion barriers of undeca- and dodeca-substituted saddle shaped porphyrin complexes
  作者：Akito Hoshino、Yoshiki Ohgo、Mikio Nakamura

  DOI：10.1016/j.tetlet.2005.05.100

  日期：2005.7

  Synthesis and barriers to inversion of a series of highly saddle shaped complexes are reported. The Delta G(not equal) has decreased by 8 kJ mol(-1) at 243 K when the meso phenyl groups are replaced by bulkier 2,6-dichlorophenyl groups, and by 17 kJ mol(-1) when one of the peripheral ethyl groups is removed. (c) 2005 Published by Elsevier Ltd.