1-acetylaminomethyl-5,7,8-trimethoxy-6-methylisoquinoline | 887195-39-3

• 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-acetylaminomethyl-5,7,8-trimethoxy-6-methylisoquinoline
• 英文别名: N-[(5,7,8-trimethoxy-6-methylisoquinolin-1-yl)methyl]acetamide
• CAS: 887195-39-3
• 化学式: C₁₆H₂₀N₂O₄
• 分子量: 304.346
• InChiKey: RCIMKGJYVCRDAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-acetylaminomethyl-5,7,8-trimethoxy-6-methylisoquinoline 在 三氯氧磷 作用下， 以 甲苯 为溶剂， 以96%的产率得到7,9,10-trimethoxy-3,8-dimethylimidazo[5,1-a]isoquinoline
  参考文献：
  名称：

  Synthesis of Cribrostatin 6 and Its Related Compounds

  摘要：

  The synthesis of cribrostatin 6 (1), which shows good biological activity as a dark blue cancer cells growth inhibitor and a number of pathogenic bacteria and fungi, was achieved in two steps from 1-acetylaminomethyl-5,7-diethoxy-8-hydroxy-6-methylisoquinoline (14). The related compounds (8 similar to 11) were also synthesized, and the antimicrobial activities of 1 and its nine related compounds (5 similar to 13) were investigated.

  DOI：

  10.3987/com-06-10674
• 作为产物：
  描述：

  重氮甲烷 、 Acetamide,N-[(8-hydroxy-5,7-dimethoxy-6-methyl-1-isoquinolinyl)methyl]- 以 乙醚 为溶剂， 反应 3.0h， 以90%的产率得到1-acetylaminomethyl-5,7,8-trimethoxy-6-methylisoquinoline
  参考文献：
  名称：

  Synthesis of Cribrostatin 6 and Its Related Compounds

  摘要：

  The synthesis of cribrostatin 6 (1), which shows good biological activity as a dark blue cancer cells growth inhibitor and a number of pathogenic bacteria and fungi, was achieved in two steps from 1-acetylaminomethyl-5,7-diethoxy-8-hydroxy-6-methylisoquinoline (14). The related compounds (8 similar to 11) were also synthesized, and the antimicrobial activities of 1 and its nine related compounds (5 similar to 13) were investigated.

  DOI：

  10.3987/com-06-10674