N-sec-Butyl homophthalimide | 161427-42-5

• 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: N-sec-Butyl homophthalimide
• 英文别名: 2-Butyl-1,3(2H, 4H)-isoquinolinedione；2-butan-2-yl-4H-isoquinoline-1,3-dione
• CAS: 161427-42-5
• 化学式: C₁₃H₁₅NO₂
• mdl: MFCD19350657
• 分子量: 217.268
• InChiKey: SZBAVNRAMHXKSY-UHFFFAOYSA-N

物化性质

• 沸点：
  377.5±35.0 °C(predicted)
• 密度：
  1.149±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-sec-Butyl homophthalimide 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 2-sec-Butyl-1,3,4(2H)-isoquinolinetrione
  参考文献：
  名称：

  1,3,4(2H)-isoquinolinetrione herbicides: Novel redox mediators of photosystem I

  摘要：

  AbstractA series of 1,3,4(2H)‐isoquinolinetriones have been found to be fast‐acting post‐emergence herbicides, producing symptoms of desiccation. These redox‐active compounds are very potent stimulators of the light‐dependent consumption of oxygen at photosystem I in isolated chloroplasts. Pulse radiolysis studies on 2‐ethyl‐1,3,4(2H)‐isoquinolinetrione have shown it to have free‐radical properties which could enhance the generation of superoxide radicals in plants. Electrochemical studies further support a redox mediator mode of action for the series. The compounds were found to be unstable towards hydrolysis, and this was considered to be a major factor limiting the overall herbicidal effects. Other parameters, related to uptake and/or translocation, which may limit the full expression of the herbicidal activity of certain compounds, are discussed.

  DOI：

  10.1002/ps.2780440108