7-(o-fluoroanilino)-5,8-dimethylisoquinoline | 1007382-46-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-(o-fluoroanilino)-5,8-dimethylisoquinoline
• 英文别名: 7-(2-fluoroanilino)-5,8-dimethylisoquinoline；N-(2-fluorophenyl)-5,8-dimethylisoquinolin-7-amine
• CAS: 1007382-46-8
• 化学式: C₁₇H₁₅FN₂
• 分子量: 266.318
• InChiKey: IJGJKJFLGPMXIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-bromo-5,8-dimethylisoquinoline 、 2-氟苯胺 在 palladium diacetate 、 双(2-二苯基磷苯基)醚 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以67%的产率得到7-(o-fluoroanilino)-5,8-dimethylisoquinoline
  参考文献：
  名称：

  Synthesis of 7-Substituted Derivatives of 5,8-Dimethylisoquinoline

  摘要：

  7-Bromo-5,8-dimethylisoquinoline was selectively synthesized by the bromination of 5,8-dimethylisoquinoline obtained in five steps from p-xylene as a starting material. Further, 7-bromo-5,8-dimethylisoquinoline gave 7-amino-5,8-dimethylisoquinoline by the reaction with ammonia and various 7-anilino-5,8-dimethylisoquinolines via a palladium-catalyzed coupling reaction with anilines.

  DOI：

  10.3987/com-07-s(u)38

文献信息

• Synthesis of 7-Anilino-5,8-dimethylisoquinolines Having Electron-Attracting Group on Anilino Moiety
  作者：Yukinori Nagao、Ryosuke Endo、Mizuho Tokumaru、Koji Arimitsu

  DOI：10.3987/com-08-s(f)110

  日期：——

  7-Amino-5,8-dimethylisoquinoline gave various 7-anilino-5,8-dimethylisoquinolines via a palladium-catalyzed coupling reaction with bromobenzenes having electron-attracting groups (NO(2), F).
• Synthesis of 7-Substituted Derivatives of 5,8-Dimethylisoquinoline
  作者：Yukinori Nagao、Katsuaki Hirota、Mizuho Tokumaru、Kozo Kozawa

  DOI：10.3987/com-07-s(u)38

  日期：——

  7-Bromo-5,8-dimethylisoquinoline was selectively synthesized by the bromination of 5,8-dimethylisoquinoline obtained in five steps from p-xylene as a starting material. Further, 7-bromo-5,8-dimethylisoquinoline gave 7-amino-5,8-dimethylisoquinoline by the reaction with ammonia and various 7-anilino-5,8-dimethylisoquinolines via a palladium-catalyzed coupling reaction with anilines.