copper octaethyl-5-phenylporphyrin | 330206-66-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: copper octaethyl-5-phenylporphyrin
• 英文别名: Cu(5-phenyloctaethylporphyrin)
• CAS: 330206-66-1
• 化学式: C₄₂H₄₈CuN₄
• 分子量: 672.416
• InChiKey: AQWCWALSYMLULY-YMTASMNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.95
• 重原子数：
  47.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  53.98
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  copper octaethyl-5-phenylporphyrin 在 硫酸 作用下， 以 溶剂黄146 为溶剂， 生成 铜
  参考文献：
  名称：

  Kuvshinova; Dudkina; Pukhovskaya, Russian Journal of General Chemistry, 2000, vol. 70, # 6, p. 945 - 947

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3,7,8,12,13,17,18-octaethyl-5-phenylporphyrine 、 copper diacetate 以 N,N-二甲基甲酰胺 为溶剂， 生成 copper octaethyl-5-phenylporphyrin
  参考文献：
  名称：

  大环化合物化学修饰对有机溶剂中卟啉与金属盐之间络合物形成的影响

  摘要：

  复合物的形成β-八乙基卟啉，β-octaethyl-的内消旋-monophenylporphyrin，β-octaethyl-内消旋-tetraphenylporphyrin，内消旋-diphenylporphyrin，内消旋-triphenylporphyrin和内消旋-四苯基卟啉用Zn（II），铜（II），钴（II ），通过分光光度法研究了二甲基甲酰胺，二甲基亚砜，吡啶，乙酸和氯仿-甲醇1：1混合物中的乙酸锰和氯化锰（II）。所观察到的规定与不同复杂性的卟啉中NH键的化学反应性概念一致。

  DOI：

  10.1134/s1070363217060123

文献信息

• Influence of the Structure of the Organic Moiety of Copper(II) Porphyrins on Their Reactivity toward Acids
  作者：O. V. Kosareva、M. E. Klyueva、T. N. Lomova、E. E. Suslova

  DOI：10.1007/s11176-005-0250-x

  日期：2005.3

  acid-induced dissociation of copper(II) porphyrin complexes with a high degree of meso - and β-substitution in the ligand was studied. The copper(II) complexes with octaethylporphyrins containing 0, 1, 2, 3, and 4 meso -phenyl substituents were ranked with respect to the stability. Octaβ-alkyl and unsymmetrical meso -phenyl substitution affects not only the quantitative characteristics of dissociation of the

  研究了酸诱导的铜（II）卟啉配合物在配体中具有高 介观 和β取代度的解离 。将具有0、1、2、3和4个 内消旋 苯基取代基的八乙基卟啉的铜（II）配合物进行 稳定性排序。Octaβ烷基和不对称 的内消旋 -苯基取代不仅影响复合物解离的定量特性，而且该过程的动力学关系。
• ——
  作者：E. M. Kuvshinova、D. L. Kuz'min、N. S. Dudkina、S. G. Pukhovskaya、A. S. Semeikin、O. A. Golubchikov

  DOI：10.1023/a:1015322118490

  日期：——

  The dissociation kinetics of the cobalt and copper complexes with octaethylporphyrin, its 5-phenyl, 5,15-diphenyl, and 5,10,15,20-tetraphenyl derivatives, and dodecaphenylporphyrin in acetic acid with small additions of trifluoroacetic acid were studied. In this series of complexes, the steric distortion of the tetrapyrrole macrocycle sequentially increases, which results in a regular decrease in the kinetic stability of the metal porphyrins: The dissociation rate increases by three orders of magnitude.
• ——
  作者：E. M. Kuvshinova、D. L. Kuz'min、S. G. Pukhovskaya、A. S. Semeikin、O. A. Golubchikov

  DOI：10.1023/a:1025673427341

  日期：——

  Octaethyl-, 5-phenyloctaethyl-, 5,15-diphenyloctaethyl-, 5,10,15,20-tetraphenyloctaethyl, and dodecaphenylporphyrins were prepared, and their geometries were optimized by the method of molecular mechanics. The deformation of the porphyrin macroring grows as the number of phenyl groups is increased. The dissociation kinetics of the manganese, cobalt, and copper complexes of the porphyrins in solutions of sulfuric acid in acetic acid were studied. The kinetic parameters of the dissociation of metal porphyrins were analyzed in relation to the porphyrin structure and nature of the metal.