1-(4-methylbenzoyl)-5-pentafluorophenyl-9-(4-tert-butylbenzoyl)-dipyrromethane | 483356-55-4

• 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-tert-butylbenzoyl)-dipyrromethane
• 英文别名: [5-[[5-(4-tert-butylbenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
• CAS: 483356-55-4
• 化学式: C₃₄H₂₇F₅N₂O₂
• 分子量: 590.593
• InChiKey: NKWTZAGSARUDJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  65.7
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-(4-methylbenzoyl)-5-pentafluorophenyl-9-(4-tert-butylbenzoyl)-dipyrromethane 在 sodium tetrahydroborate 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 0.17h， 生成 2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-5-[[5-[(4-methylphenyl)-(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
• 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 、 甲苯 为溶剂， 反应 0.08h， 生成 1-(4-methylbenzoyl)-5-pentafluorophenyl-9-(4-tert-butylbenzoyl)-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