3-(3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene)-2-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-N-(4-methylphenyl)propanamide | 1132818-04-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-(3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene)-2-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-N-(4-methylphenyl)propanamide
• CAS: 1132818-04-2
• 化学式: C₃₀H₂₆N₂O₃
• 分子量: 462.548
• InChiKey: DYWQRDBKRLGFCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.27
• 重原子数：
  35.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  75.27
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-(5,5-dimethyl-3-oxo-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-2-ylidene)-2H-indene-1,3-dione 、 乙烷,三氯氟- 以 溶剂黄146 为溶剂， 反应 0.5h， 以60%的产率得到3-(3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene)-2-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-N-(4-methylphenyl)propanamide
  参考文献：
  名称：

  Reaction of pyrrolo[2,1-a]isoquinoline-2,3-diones with carbon-centered nucleophiles

  摘要：

  Knoevenagel condensations of 5,5-dimethyl-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinoline-2,3-diones with malononitrile, ethyl cyanoacetate, indan-1,3-dione, and Drotaverine base involved the ketone carbonyl group in the former with formation of deeply colored dark blue substances. The lactam ring in the products can be opened by the action of nitrogen-centered nucleophiles, e.g., p-toluidine. The reaction of 5,5-dimethyl-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinoline-2,3-dione with methyl magnesium iodide gave 2-hydroxy-2,5,5-trimethyl-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one.

  DOI：

  10.1134/s1070428008060110