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 | 1089206-56-3

• 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: 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
• CAS: 1089206-56-3
• 化学式: C₂₄H₂₂N₂O₆
• 分子量: 434.448
• InChiKey: SGTYOFKWHXMYJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  79.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[2-[2-(Indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl indolizine-1-carboxylate 在 copper diacetate 、 palladium diacetate 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以38%的产率得到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

文献信息

• Synthesis of Biindolizines through Highly Regioselective Palladium-Catalyzed C−H Functionalization
  作者：Ji-Bao Xia、Xue-Qiang Wang、Shu-Li You

  DOI：10.1021/jo802227u

  日期：2009.1.2

  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.