1,9-bis(4-tert-butylbenzoyl)dipyrromethane | 483356-51-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,9-bis(4-tert-butylbenzoyl)dipyrromethane
• 英文别名: [5-[[5-(4-tert-butylbenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(4-tert-butylphenyl)methanone
• CAS: 483356-51-0
• 化学式: C₃₁H₃₄N₂O₂
• 分子量: 466.623
• InChiKey: RIBBCJPMZLEQNH-UHFFFAOYSA-N

物化性质

• 沸点：
  626.8±55.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  65.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,9-bis(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-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]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：

  2,2'-二吡咯基甲烷 、 对叔丁基苯甲酰氯 在 乙基溴化镁 作用下， 以 甲苯 为溶剂， 反应 0.83h， 以753 mg的产率得到1,9-bis(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

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.