(4E)-4-benzylidene-2-methylisoquinoline-1,3-dione | 352201-14-0

• 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: (4E)-4-benzylidene-2-methylisoquinoline-1,3-dione
• CAS: 352201-14-0
• 化学式: C₁₇H₁₃NO₂
• 分子量: 263.296
• InChiKey: DZSRFJFENQWTCY-RVDMUPIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基异喹啉-1,3(2H,4H)-二酮 、 苯甲醛 在 哌啶 作用下， 以 氯仿 为溶剂， 反应 5.0h， 以70%的产率得到(4E)-4-benzylidene-2-methylisoquinoline-1,3-dione
  参考文献：
  名称：

  New N-Substituted (E)-4-Arylidene Isoquinoline-1,3-dione Derivatives: NMR Spectroscopic Investigation and Antibacterial Activity

  摘要：

  New N-substituted 4-arylidene-isoquinoline-1,3-dione derivatives were obtained as one geometrical isomer by aldol condensation of the appropriate aldehyde and the corresponding N-substituted homophthalimides. The structural elucidation of compounds 3a-h was established by infrared and NMR spectroscopy including H-1, C-13, CH CORR, and distortionless enhancement by polarization transfer measurements. Compounds 3d-h were evaluated for their antibacterial activity against some strains of bacteria using the disc diffusion method and microdilution tests.

  DOI：

  10.1080/00397911.2011.581792