6-Trifluoromethyl-3-isopropyl-2(1H)-quinoxalinone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-Trifluoromethyl-3-isopropyl-2(1H)-quinoxalinone
• 英文别名: 3-Isopropyl-6-(trifluoromethyl)-2-quinoxalinol；3-propan-2-yl-6-(trifluoromethyl)-1H-quinoxalin-2-one
• 化学式: C₁₂H₁₁F₃N₂O
• 分子量: 256.227
• InChiKey: METLFZHHNBLIOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-methyl-hexane-3,4-dione 、 3,4-二胺基苄氧基三氟化物 以 乙醇 为溶剂， 以66%的产率得到6-Trifluoromethyl-3-isopropyl-2(1H)-quinoxalinone
  参考文献：
  名称：

  Preparation and biological evaluation of 6/7-trifluoromethyl(nitro)-, 6,7-difluoro-3-alkyl (aryl)-substituted-quinoxalin-2-ones. Part 3

  摘要：

  A new series of quinoxalinones 6/7-trifluoromethyl or nitro- and 6,7-difluoro substituted bearing various side-chains (alkyl, halogenoalkyl, benzyl and phenyl groups) at C-3 of the ring system was synthesized and submitted to preliminary in vitro evaluation for antibacterial, antifungal, antimycobacterial, anticancer and anti-HIV activities. Results of these screenings showed that compounds 23-28 exhibited a good inhibition activity against various strains of Candida. Compound 24 showed also an interesting in vitro anticancer activity. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00011-7