2-[2-[2-(Indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate | 1092776-33-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 2-[2-[2-(Indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate
• CAS: 1092776-33-4
• 化学式: C₂₅H₂₆N₂O₆
• 分子量: 450.491
• InChiKey: AVALKSNWJCEUAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  79.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[2-[2-(Indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate 在 copper diacetate 、 palladium diacetate 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以23%的产率得到6-Methyl-11,14,17,20-tetraoxa-3,28-diazapentacyclo[20.6.1.12,9.03,8.023,28]triaconta-1(29),2(30),4,6,8,22,24,26-octaene-10,21-dione
  参考文献：
  名称：

  Synthesis of Biindolizines through Highly Regioselective Palladium-Catalyzed C−H Functionalization

  摘要：

  Biindolizines were synthesized under mild conditions with excellent regioselectivity in high yields through palladium-catalyzed C-H functionalization of indolizines. Synthesis of a macrocyclic compound was also achieved via intramolecular double C-H functionalization.

  DOI：

  10.1021/jo802227u
• 作为产物：
  描述：

  7-methyl-indolizine-1-carboxylic acid 、 在 4-二甲氨基吡啶 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到2-[2-[2-(Indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate
  参考文献：
  名称：

  Synthesis of Biindolizines through Highly Regioselective Palladium-Catalyzed C−H Functionalization

  摘要：

  Biindolizines were synthesized under mild conditions with excellent regioselectivity in high yields through palladium-catalyzed C-H functionalization of indolizines. Synthesis of a macrocyclic compound was also achieved via intramolecular double C-H functionalization.

  DOI：

  10.1021/jo802227u