4,4',4'',4'''-(porphyrin-5,10,15,20-tetrayl)tetrakis(N,N-diethyl-2,3,5,6-tetrafluoroaniline) | 135840-33-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 4,4',4'',4'''-(porphyrin-5,10,15,20-tetrayl)tetrakis(N,N-diethyl-2,3,5,6-tetrafluoroaniline)
• CAS: 135840-33-4
• 化学式: C₆₀H₅₀F₁₆N₈
• 分子量: 1187.09
• InChiKey: YQMDRHCRQHJPHC-KRQUYQEWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.93
• 重原子数：
  84.0
• 可旋转键数：
  16.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  70.32
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  tetrakis(pentafluorophenyl)porphyrin 、 二乙胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 4,4',4'',4'''-(porphyrin-5,10,15,20-tetrayl)tetrakis(N,N-diethyl-2,3,5,6-tetrafluoroaniline)
  参考文献：
  名称：

  Bouy-Debec, Dominique; Brigaud, Olivier; Leduc, Philippe, Gazzetta chimica Italiana, 1996, vol. 126, # 4, p. 233 - 237

  摘要：

  DOI：

文献信息

• Preparation of functionalized polyhalogenated tetraaryl-porphyrins by selective substitution of the p-Fluorines of meso-tetra-(pentafluorophenyl)porphyrins
  作者：Pierrette Battioni、Olivier Brigaud、Hervé Desvaux、Daniel Mansuy、Ted G Traylor

  DOI：10.1016/0040-4039(91)80641-i

  日期：1991.6

  Reaction of various nucleophiles, such as primary and secondary amines in refluxing DMF, alkoxides in alcohol or THF and thiols in the presence of NEt3 in DMF, with meso-tetra-(pentafluorophenyl)porphyrin (or its Zn(II) and Fe(III) complexes) led to the selective replacement of the p-fluorine substituents of the starting porphyrin by NR2 , OR or SR groups, in yields between 70 and 90%. The same regioselectivity was obtained by reaction of meso-tetra-(pentafluorophenyl) octabromoporphyrin with n-propylamine. Reaction with KCN gave a more complex reaction mixture.