[5-[(5-methoxypyrrol-2-ylidene)-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone | 1167990-41-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [5-[(5-methoxypyrrol-2-ylidene)-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
• CAS: 1167990-41-1
• 化学式: C₂₅H₂₂N₂O₂
• 分子量: 382.462
• InChiKey: NLTFPJLTSBLEPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲醇 、 2-[(4-methylphenyl)-[5-[(4-methylphenyl)-(1-methylsulfonylpyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-1-methylsulfonylpyrrole 在 air 、 potassium hydroxide 作用下， 反应 168.0h， 以1%的产率得到(5Z)-2-methoxy-5-[(4-methylphenyl)-[5-[(Z)-(4-methylphenyl)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methylidene]pyrrole
  参考文献：
  名称：

  Rational Synthesis of Tripyrranes

  摘要：

  The rational, chromatography-free synthesis of two regioisomeric 5,10-diaryltripyrranes from pyrrole and aromatic acids has been developed. The strategy is general and should be applicable to a broad range of acids. This methodology was successfully applied to the synthesis of monoprotected dipyrrane. The oxidation of N,N'-bis-mesyltripyrrane under basic conditions led to the formation of both known tripyrrin-1-one and unknown 1-methoxytripyrrin-a fluorescent dye strongly absorbing green light.

  DOI：

  10.1021/jo900602z