3,9-dihydro-1,3,9-trimethyl-8-(trifluoromethyl)-1H-purine-2,6-dione | 413568-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 3,9-dihydro-1,3,9-trimethyl-8-(trifluoromethyl)-1H-purine-2,6-dione
• 英文别名: 1,3,9-Trimethyl-8-(trifluoromethyl)-1,2,3,6-tetrahydro-9H-purine-2,6-dione；1,3,9-trimethyl-8-(trifluoromethyl)purine-2,6-dione
• CAS: 413568-94-2
• 化学式: C₉H₉F₃N₄O₂
• 分子量: 262.191
• InChiKey: AUOJUGOAIAUXQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3,9-三甲基黄嘌呤 、 Langlois reagent 在 蒽醌-2-羧酸 、 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 36.0h， 以62%的产率得到3,9-dihydro-1,3,9-trimethyl-8-(trifluoromethyl)-1H-purine-2,6-dione
  参考文献：
  名称：

  使用光氧化还原有机催化剂的芳烃和杂芳烃的无金属直接CH全氟烷基化

  摘要：

  AbstractWe report the visible‐light‐induced trifluoromethylation of arenes and heteroarenes using sodium trifluoromethanesulfinate catalyzed by anthraquinone‐2‐carboxylic acid. This reaction is a metal‐free trifluoromethylation of arenes and heteroarenes catalyzed by a photoredox organocatalyst. Perfluoroalkylated arenes were also produced using sodium perfluoroalkylsulfinates.magnified image

  DOI：

  10.1002/adsc.201300199

文献信息

• Metal-Free Direct CH Perfluoroalkylation of Arenes and Heteroarenes Using a Photoredox Organocatalyst
  作者：Lei Cui、Yoko Matusaki、Norihiro Tada、Tsuyoshi Miura、Bunji Uno、Akichika Itoh

  DOI：10.1002/adsc.201300199

  日期：2013.8.12

  AbstractWe report the visible‐light‐induced trifluoromethylation of arenes and heteroarenes using sodium trifluoromethanesulfinate catalyzed by anthraquinone‐2‐carboxylic acid. This reaction is a metal‐free trifluoromethylation of arenes and heteroarenes catalyzed by a photoredox organocatalyst. Perfluoroalkylated arenes were also produced using sodium perfluoroalkylsulfinates.magnified image