diisopropyl 1-benzoylpyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate | 1138418-86-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: diisopropyl 1-benzoylpyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
• 英文别名: Dipropan-2-yl 1-benzoylpyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate；dipropan-2-yl 1-benzoylpyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
• CAS: 1138418-86-6
• 化学式: C₂₇H₂₅NO₅
• 分子量: 443.499
• InChiKey: CYYPGOUFNKSDPX-UHFFFAOYSA-N

物化性质

• 熔点：
  150-152 °C(Solvent: Methanol)
• 密度：
  1.21±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  74.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异喹啉 、 Diisopropyl acetylenedicarboxylate 、 苯甲酰硝基甲烷 以 水 、 乙腈 为溶剂， 反应 3.0h， 以75%的产率得到diisopropyl 1-benzoylpyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
  参考文献：
  名称：

  Synthesis of pyrrolo[2,1-a]isoquinolines from activated acetylenes, benzoylnitromethanes, and isoquinoline

  摘要：

  Isoquinoline reacts smoothly with aroylnitromethanes in the presence of dialkyl acetylenedicarboxylates and dibenzoylacetylene to produce pyrrolo[2,1,a]isoquinolines in good yields. Quinoline and benzothiazole also react in a similar way. Pyridine and N-methylimidazole catalyze the reaction between nitromethane derivatives with electron-deficient acetylenes to produce highly functionalized isoxazoles. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.01.001

文献信息

• Synthesis of pyrrolo[2,1-a]isoquinolines from activated acetylenes, benzoylnitromethanes, and isoquinoline
  作者：Issa Yavari、Mohammad Piltan、Loghman Moradi

  DOI：10.1016/j.tet.2009.01.001

  日期：2009.3

  Isoquinoline reacts smoothly with aroylnitromethanes in the presence of dialkyl acetylenedicarboxylates and dibenzoylacetylene to produce pyrrolo[2,1,a]isoquinolines in good yields. Quinoline and benzothiazole also react in a similar way. Pyridine and N-methylimidazole catalyze the reaction between nitromethane derivatives with electron-deficient acetylenes to produce highly functionalized isoxazoles. (C) 2009 Elsevier Ltd. All rights reserved.