diethyl 4,4-dimethyl-1-oxo-2-phenyl-2,4,7,8-tetrahydro-1H-azepino[3,2,1-de]pyrrolo [4,3,2-mn]acridine-6,7-dicarboxylate | 1427455-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: diethyl 4,4-dimethyl-1-oxo-2-phenyl-2,4,7,8-tetrahydro-1H-azepino[3,2,1-de]pyrrolo [4,3,2-mn]acridine-6,7-dicarboxylate
• CAS: 1427455-21-7
• 化学式: C₃₂H₃₀N₂O₅
• 分子量: 522.601
• InChiKey: QLRXDTUXODVNNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  39.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  79.53
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  3-苯胺基-5,5-二甲基环己-2-烯-1-酮 、 靛红 、 丙炔酸乙酯 在 异丁酸 作用下， 反应 0.51h， 以48%的产率得到diethyl 4,4-dimethyl-1-oxo-2-phenyl-2,4,7,8-tetrahydro-1H-azepino[3,2,1-de]pyrrolo [4,3,2-mn]acridine-6,7-dicarboxylate
  参考文献：
  名称：

  Highly Selective Domino Multicyclizations for Forming Polycyclic Fused Acridines and Azaheterocyclic Skeletons

  摘要：

  Highly selective four-component domino multicyclizations for the synthesis of new fused acridines and azaheterocyclic skeletons have been established by mixing common reactants in isobutyric acid under microwave irradiation. The reactions proceed at fast rates and were conducted to completion within 20-30 min. Up to seven new chemical bonds, four rings, and four stereocenters were assembled in a convenient one-pot operation. The resulting hexacyclic and pentacyclic fused acridines and their stereochemistry have been fully characterized and determined by X-ray structural analysis.

  DOI：

  10.1021/ol400322v