dimethyl 2-(3-chlorophenyl)-4,4-dimethyl-1-oxo-2,4,7,8-tetrahydro-1H-azepino[3,2,1-de]pyrrolo[4,3,2-mn]acridine-6,7-dicarboxylate | 1427455-38-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: dimethyl 2-(3-chlorophenyl)-4,4-dimethyl-1-oxo-2,4,7,8-tetrahydro-1H-azepino[3,2,1-de]pyrrolo[4,3,2-mn]acridine-6,7-dicarboxylate
• 英文别名: Dimethyl 10-(3-chlorophenyl)-13,13-dimethyl-9-oxo-1,10-diazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-2,4,6,8(20),11,14(19),15-heptaene-16,17-dicarboxylate；dimethyl 10-(3-chlorophenyl)-13,13-dimethyl-9-oxo-1,10-diazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-2,4,6,8(20),11,14(19),15-heptaene-16,17-dicarboxylate
• CAS: 1427455-38-6
• 化学式: C₃₀H₂₅ClN₂O₅
• 分子量: 528.992
• InChiKey: AVJPODPLMGTYMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-(3-Chloro-phenylamino)-5,5-dimethyl-cyclohex-2-enone 、 靛红 、 丙炔酸甲酯 在 异丁酸 作用下， 反应 0.05h， 以52%的产率得到dimethyl 2-(3-chlorophenyl)-4,4-dimethyl-1-oxo-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

文献信息

• Highly Selective Domino Multicyclizations for Forming Polycyclic Fused Acridines and Azaheterocyclic Skeletons
  作者：Bo Jiang、Xue Wang、Hai-Wei Xu、Man-Su Tu、Shu-Jiang Tu、Guigen Li

  DOI：10.1021/ol400322v

  日期：2013.4.5

  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.