10-(pentafluorophenyl)-5,15-bis(N-methyl-2-pyridiniumyl)corrole | 1042222-36-5

• 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: 10-(pentafluorophenyl)-5,15-bis(N-methyl-2-pyridiniumyl)corrole
• CAS: 1042222-36-5
• 化学式: C₃₇H₂₅F₅N₆
• 分子量: 648.638
• InChiKey: DAFBZYGZFQUTKN-VXPUYCOJSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  8.04
• 重原子数：
  48.0
• 可旋转键数：
  3.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  68.02
• 氢给体数：
  3.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  5,10,15-tris(2-pyridyl)corrole 、 碘甲烷 以 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到10-(pentafluorophenyl)-5,15-bis(N-methyl-2-pyridiniumyl)corrole
  参考文献：
  名称：

  Facile synthesis of ortho-pyridyl-substituted corroles and molecular structures of analogous porphyrins

  摘要：

  The reactions of 5-(2-pyridyl)dipyrromethane with either pyridine-2-carboxaldehyde or pentafluorobenzaldehyde provided the expected corroles in 22-24% yields when performed according to the protocol perfected for such molecules, while porphyrins were the main products from reactions carried out in hot propionic acid. The ortho-pyridyl-substituted porphyrins were characterized by X-ray crystallography, thus revealing the first molecular Structures of such molecules. The new corroles were transformed into water-soluble derivatives via N-alkylation of the pyridyl groups, leading to the first ortho-pyridylium-substituted corroles. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.113