5,8-dimethyl-6-phenylisoquinoline

• 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: 5,8-dimethyl-6-phenylisoquinoline
• 化学式: C₁₇H₁₅N
• 分子量: 233.313
• InChiKey: BCJSIYZEXMAWOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  6-bromo-5,8-dimethylisoquinoline 在 氢氧化钾 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 44.5h， 生成 5,8-dimethyl-6-phenylisoquinoline
  参考文献：
  名称：

  Isoxazolinoisoquinoline Heterocycles via Solid-Phase Reissert and Suzuki Reactions

  摘要：

  A traceless solid-phase synthesis strategy has been developed that delivers novel isoxazolinoisoquinoline heterocycles. The process consists of solid-phase Reissert formation (isoquinoline --> I), Suzuki coupling lithiation, and subsequent C1-alkylation (I --> II), and exo-olefin selective 1,3-dipolar nitrile oxide cycloaddition followed by Reissert; hydrolysis (II --> III) to liberate the targeted heterocycle.

  DOI：

  10.1021/jo9720142

文献信息

• Isoxazolinoisoquinoline Heterocycles via Solid-Phase Reissert and Suzuki Reactions
  作者：Beth A. Lorsbach、Jeffrey T. Bagdanoff、R. Bryan Miller、Mark J. Kurth

  DOI：10.1021/jo9720142

  日期：1998.4.1

  A traceless solid-phase synthesis strategy has been developed that delivers novel isoxazolinoisoquinoline heterocycles. The process consists of solid-phase Reissert formation (isoquinoline --> I), Suzuki coupling lithiation, and subsequent C1-alkylation (I --> II), and exo-olefin selective 1,3-dipolar nitrile oxide cycloaddition followed by Reissert; hydrolysis (II --> III) to liberate the targeted heterocycle.