1-Methyl-4-isoquinolinecarboxaldehyde | 1637306-20-7

• 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: 1-Methyl-4-isoquinolinecarboxaldehyde
• 英文别名: 1-methylisoquinoline-4-carbaldehyde
• CAS: 1637306-20-7
• 化学式: C₁₁H₉NO
• 分子量: 171.199
• InChiKey: IRAOHBAVYQMMNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Methyl-4-isoquinolinecarboxaldehyde 在 羟胺 作用下， 以 乙醇 为溶剂， 以98%的产率得到1-methylisoquinoline-4-carbaldehyde oxime
  参考文献：
  名称：

  Insecticidal quinoline and isoquinoline isoxazolines

  摘要：

  A series of quinoline and isoquinoline isoxazolines have been designed as pesticides for crop protection. Herein we reported the chemical synthesis, biological activity and structure-activity relationships. The isoquinoline derivative, such as 3i, is discovered as potent new class of isoxazoline insecticide which is competitive with commercial insecticide Indoxacarb.

  DOI：

  10.1016/j.bmcl.2014.06.004
• 作为产物：
  描述：

  4-溴异喹啉 在 正丁基锂 、 双氧水 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 1-Methyl-4-isoquinolinecarboxaldehyde
  参考文献：
  名称：

  Insecticidal quinoline and isoquinoline isoxazolines

  摘要：

  A series of quinoline and isoquinoline isoxazolines have been designed as pesticides for crop protection. Herein we reported the chemical synthesis, biological activity and structure-activity relationships. The isoquinoline derivative, such as 3i, is discovered as potent new class of isoxazoline insecticide which is competitive with commercial insecticide Indoxacarb.

  DOI：

  10.1016/j.bmcl.2014.06.004