8-acetyloxy-1-cyano-5-hydroxy-7-methoxy-6-methylisoquinoline | 654077-52-8

• 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: 8-acetyloxy-1-cyano-5-hydroxy-7-methoxy-6-methylisoquinoline
• 英文别名: (1-cyano-5-hydroxy-7-methoxy-6-methylisoquinolin-8-yl) acetate
• CAS: 654077-52-8
• 化学式: C₁₄H₁₂N₂O₄
• 分子量: 272.26
• InChiKey: QBVKKFOQCHOFLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  8-acetyloxy-1-cyano-5-hydroxy-7-methoxy-6-methylisoquinoline 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 甲醇 、 乙醚 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 27.0h， 生成 Acetamide,N-[(8-hydroxy-5,7-dimethoxy-6-methyl-1-isoquinolinyl)methyl]-
  参考文献：
  名称：

  Catalytic Hydrogenation of 8-Acyloxy-1-cyanoisoquinoline and Synthesis of 9-Methoxy-9-deethoxycribrostatin 6

  摘要：

  Catalytic hydrogenation of 8-acyloxy-1-cyanoisoquinolines (6) similar to(9) in the presence of 10% Pd-C and synthesis of 9-methoxy isomer (10) of cribrostatin 6 utilizing the compound (26) obtained by this reaction are described.

  DOI：

  10.3987/com-03-9894
• 作为产物：
  描述：

  5,8-diacetoxy-1-cyano-7-methoxy-6-methylisoquinoline 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 120.0h， 以44%的产率得到8-acetyloxy-1-cyano-5-hydroxy-7-methoxy-6-methylisoquinoline
  参考文献：
  名称：

  Catalytic Hydrogenation of 8-Acyloxy-1-cyanoisoquinoline and Synthesis of 9-Methoxy-9-deethoxycribrostatin 6

  摘要：

  Catalytic hydrogenation of 8-acyloxy-1-cyanoisoquinolines (6) similar to(9) in the presence of 10% Pd-C and synthesis of 9-methoxy isomer (10) of cribrostatin 6 utilizing the compound (26) obtained by this reaction are described.

  DOI：

  10.3987/com-03-9894

文献信息

• Catalytic Hydrogenation of 8-Acyloxy-1-cyanoisoquinoline and Synthesis of 9-Methoxy-9-deethoxycribrostatin 6
  作者：Shinsuke Nakahara、Akinori Kubo

  DOI：10.3987/com-03-9894

  日期：——

  Catalytic hydrogenation of 8-acyloxy-1-cyanoisoquinolines (6) similar to(9) in the presence of 10% Pd-C and synthesis of 9-methoxy isomer (10) of cribrostatin 6 utilizing the compound (26) obtained by this reaction are described.