1-(4-methylbenzoyl)-5-pentafluorophenyl-9-(4-methoxybenzoyl)-dipyrromethane | 483356-27-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-methylbenzoyl)-5-pentafluorophenyl-9-(4-methoxybenzoyl)-dipyrromethane
• 英文别名: [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
• CAS: 483356-27-0
• 化学式: C₃₁H₂₁F₅N₂O₃
• 分子量: 564.511
• InChiKey: SQEZLGMCWIDTEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  665.8±55.0 °C(Predicted)
• 密度：
  1.387±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  75
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(4-methylbenzoyl)-5-pentafluorophenyl-9-(4-methoxybenzoyl)-dipyrromethane 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.12h， 生成 5-(4-methylbenzoyl)-10-(pentafluorophenyl)-15-(4-methoxyphenyl) bilane
  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：

  S-2-pyridyl 4-methylbenzothiolate 在 乙基溴化镁 作用下， 以 四氢呋喃 为溶剂， 生成 1-(4-methylbenzoyl)-5-pentafluorophenyl-9-(4-methoxybenzoyl)-dipyrromethane
  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.