2,2'-diacetyl-1,2,1',2'-tetrahydro-1,1'-pyrrole-2,5-diyl-bis-isoquinoline | 37138-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2,2'-diacetyl-1,2,1',2'-tetrahydro-1,1'-pyrrole-2,5-diyl-bis-isoquinoline
• 英文别名: 1-[1-[5-(2-acetyl-1H-isoquinolin-1-yl)-1H-pyrrol-2-yl]-1H-isoquinolin-2-yl]ethanone
• CAS: 37138-05-9
• 化学式: C₂₆H₂₃N₃O₂
• 分子量: 409.488
• InChiKey: VPJOVYVNTBARMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2'-diacetyl-1,2,1',2'-tetrahydro-1,1'-pyrrole-2,5-diyl-bis-isoquinoline 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以43%的产率得到2,5-bis(1-isoquinolyl)pyrrole
  参考文献：
  名称：

  Azole additions upon azinium salts

  摘要：

  The additions of pyrrole and indole upon N-acetyl- and N-alkylpyridinium, quinolinium or isoquinolinium salts are reported. The resulting dihydroazines are either isolated or oxidised to the more stable aromatic compounds. The use of a two-phase system was studied and slight enantiomeric excesses were observed when chiral catalysts were used. The separation of enantiomers of some 4-indolyl-1,4-dihydropyridines was achieved by HPLC using chiral stationary phases. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00906-x
• 作为产物：
  描述：

  异喹啉 、 吡咯 、 乙酰氯 生成 2,2'-diacetyl-1,2,1',2'-tetrahydro-1,1'-pyrrole-2,5-diyl-bis-isoquinoline
  参考文献：
  名称：

  Azole additions upon azinium salts

  摘要：

  The additions of pyrrole and indole upon N-acetyl- and N-alkylpyridinium, quinolinium or isoquinolinium salts are reported. The resulting dihydroazines are either isolated or oxidised to the more stable aromatic compounds. The use of a two-phase system was studied and slight enantiomeric excesses were observed when chiral catalysts were used. The separation of enantiomers of some 4-indolyl-1,4-dihydropyridines was achieved by HPLC using chiral stationary phases. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00906-x