7-trifluoromethanesulfonyloxy-5-methylphenanthridin-6(5H)-one | 504413-84-7

• 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-trifluoromethanesulfonyloxy-5-methylphenanthridin-6(5H)-one
• 英文别名: (5-Methyl-6-oxophenanthridin-7-yl) trifluoromethanesulfonate；(5-methyl-6-oxophenanthridin-7-yl) trifluoromethanesulfonate
• CAS: 504413-84-7
• 化学式: C₁₅H₁₀F₃NO₄S
• 分子量: 357.31
• InChiKey: CMPDRLPJHZQUBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-trifluoromethanesulfonyloxy-5-methylphenanthridin-6(5H)-one 在 palladium diacetate 、 四丁基氯化铵 、 potassium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以70%的产率得到7-hydroxy-5-methylphenanthridin-6(5H)-one
  参考文献：
  名称：

  Studies on the Selective Intramolecular Biaryl Coupling Reaction of 2-Triflyloxy-6-halobenzanilides Using a Palladium Reagent

  摘要：

  The aryl-aryl coupling reaction of 2-triflyloxy-6-halobenzanilides using a palladium reagent under several reaction conditions was examined. The 6-iodo compound gave triflyloxyphenanthridone selectively in excellent yield under the conditions for the ordinary Heck reaction.

  DOI：

  10.3987/com-01-s(m)5
• 作为产物：
  描述：

  2-trifluoromethanesulfonyloxy-6-iodo-N-methylbenzanilide 在 palladium diacetate 、 三苯基膦 、 silver carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以92%的产率得到7-trifluoromethanesulfonyloxy-5-methylphenanthridin-6(5H)-one
  参考文献：
  名称：

  Studies on the Selective Intramolecular Biaryl Coupling Reaction of 2-Triflyloxy-6-halobenzanilides Using a Palladium Reagent

  摘要：

  The aryl-aryl coupling reaction of 2-triflyloxy-6-halobenzanilides using a palladium reagent under several reaction conditions was examined. The 6-iodo compound gave triflyloxyphenanthridone selectively in excellent yield under the conditions for the ordinary Heck reaction.

  DOI：

  10.3987/com-01-s(m)5

文献信息

• Studies on the Selective Intramolecular Biaryl Coupling Reaction of 2-Triflyloxy-6-halobenzanilides Using a Palladium Reagent
  作者：Takashi Harayama、Hiroko Toko、Kyoko Kubota、Hiromi Nishioka、Hitoshi Abe、Yasuo Takeuchi

  DOI：10.3987/com-01-s(m)5

  日期：——

  The aryl-aryl coupling reaction of 2-triflyloxy-6-halobenzanilides using a palladium reagent under several reaction conditions was examined. The 6-iodo compound gave triflyloxyphenanthridone selectively in excellent yield under the conditions for the ordinary Heck reaction.