2-[(2,6-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-5-[[5-[(2,6-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrole | 1025908-87-5

• 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: 2-[(2,6-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-5-[[5-[(2,6-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrole
• CAS: 1025908-87-5
• 化学式: C₃₇H₂₃F₉N₄
• 分子量: 694.602
• InChiKey: FTENHDMCCSRIMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  50
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  63.2
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-[(2,6-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-5-[[5-[(2,6-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrole 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 1.0h， 以192 mg的产率得到10-(pentafluorophenyl)-5,15-bis-(2,6-difluorophenyl)corrole
  参考文献：
  名称：

  Synthesis of Corroles Bearing up to Three Different Meso Substituents

  摘要：

  [GRAPHICS]We have developed a new method that affords regioisomerically pure corroles possessing up to three different substituents at the meso positions. The corrole formation reaction involves the acid-catalyzed condensation of a dipyrromethane-dicarbinol with pyrrole followed by oxidation with DDQ. ABC-Type corroles were synthesized for the first time according to this procedure.

  DOI：

  10.1021/ol027003w
• 作为产物：
  描述：

  2,6-二氟苯甲酰氯 在 sodium tetrahydroborate 、 乙基溴化镁 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 、 乙腈 为溶剂， 反应 3.0h， 生成 2-[(2,6-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-5-[[5-[(2,6-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrole
  参考文献：
  名称：

  Synthesis of Corroles Bearing up to Three Different Meso Substituents

  摘要：

  [GRAPHICS]We have developed a new method that affords regioisomerically pure corroles possessing up to three different substituents at the meso positions. The corrole formation reaction involves the acid-catalyzed condensation of a dipyrromethane-dicarbinol with pyrrole followed by oxidation with DDQ. ABC-Type corroles were synthesized for the first time according to this procedure.

  DOI：

  10.1021/ol027003w

文献信息

• Synthesis of Corroles Bearing up to Three Different Meso Substituents
  作者：Roger Guilard、Daniel T. Gryko、Gabriel Canard、Jean-Michel Barbe、Beata Koszarna、Stéphane Brandès、Mariusz Tasior

  DOI：10.1021/ol027003w

  日期：2002.12.1

  [GRAPHICS]We have developed a new method that affords regioisomerically pure corroles possessing up to three different substituents at the meso positions. The corrole formation reaction involves the acid-catalyzed condensation of a dipyrromethane-dicarbinol with pyrrole followed by oxidation with DDQ. ABC-Type corroles were synthesized for the first time according to this procedure.