2,3,7,8,12,13,17,18-octaethyl-5,15-difluoroporphyrin | 118824-83-2

• 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: 2,3,7,8,12,13,17,18-octaethyl-5,15-difluoroporphyrin
• CAS: 118824-83-2
• 化学式: C₃₆H₄₄F₂N₄
• 分子量: 570.769
• InChiKey: CFDFLELFMXSKEN-FSUKFYPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  42.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  57.36
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin 在 Selectfluor 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 以25%的产率得到(1Z,4E,9Z,15Z)-2,3,7,8,12,13,17,18-Octaethyl-5-fluoro-porphyrin
  参考文献：
  名称：

  Synthesis of meso-fluorotetrabenzoporphyrins

  摘要：

  Fluorination of quadruply bicyclo[2.2.21octadiene-fused porphyrin (CP) with 1-chloromethy14-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (Selectfluor) occurred at the meso positions to give a mixture of various meso-fluorinated CPs, which were separated and then quantitatively transformed to the corresponding mesa-fluorinated tetrafluorobenzoporphyrins (Bps) at 240 degrees C for 30 mm. X-ray analysis of the mono-fluoro BPs revealed that the BP skeleton remained flat, which is crucial for retaining aggregation behavior similar to that of the parent BP, thus producing highly crystalline BP derivatives. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.08.111

文献信息

• Andrews, Laura E.; Bonnett, Raymond; Kozyrev, Andrei N., Journal of the Chemical Society. Perkin transactions I, 1988, p. 1735 - 1738
  作者：Andrews, Laura E.、Bonnett, Raymond、Kozyrev, Andrei N.、Appelman, Evan H.

  DOI：——

  日期：——
• meso-perfluorination of porphyrins with N-fluoropyridinium triflate
  作者：Yoshinori Naruta、Fumito Tani、Kazuhiro Maruyama

  DOI：10.1016/s0040-4039(00)91863-x

  日期：1992.2

  Octaethylporphyrin was perfluorinated at its meso-positions with N-fluoropyridinium triflate in 67% of a total yield.