5-nitro-7-trifluoromethylquinoxaline | 60145-74-6

• 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: 5-nitro-7-trifluoromethylquinoxaline
• 英文别名: 5-nitro-7-trifluoromethyl-quinoxaline；Quinoxaline, 5-nitro-7-(trifluoromethyl)-；5-nitro-7-(trifluoromethyl)quinoxaline
• CAS: 60145-74-6
• 化学式: C₉H₄F₃N₃O₂
• 分子量: 243.145
• InChiKey: RQUAJJGQRWOXIF-UHFFFAOYSA-N

物化性质

• 沸点：
  310.4±37.0 °C(Predicted)
• 密度：
  1.565±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  草酸醛 、 3-硝基-5-(三氟甲基)苯-1,2-二胺 以 溶剂黄146 为溶剂， 反应 5.0h， 以68%的产率得到5-nitro-7-trifluoromethylquinoxaline
  参考文献：
  名称：

  Studies on the reaction of unsymmetrical trifluoromethyl 1,2-phenylenediamine with various ketones leading to novel fluorinated heterocycles

  摘要：

  Unsymmetrical 1,2-phenylenediamine on reaction with various ketones resulted in a number of fluorinated heterocycles such as benzimidazoles, quinoxalines and spiro benzimidazoles in high yields. The role of substituents in diamine in its reaction with various ketones and on the nature of product formation has been studied in detail. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2003.08.006

文献信息

• Studies on the reaction of unsymmetrical trifluoromethyl 1,2-phenylenediamine with various ketones leading to novel fluorinated heterocycles
  作者：G Venkat Reddy、V.V.V.N.S Rama Rao、D Maitraie、S Ravikanth、R Yadla、S.N Reddy、B Narsaiah、P Shanthan Rao

  DOI：10.1016/j.jfluchem.2003.08.006

  日期：2003.12

  Unsymmetrical 1,2-phenylenediamine on reaction with various ketones resulted in a number of fluorinated heterocycles such as benzimidazoles, quinoxalines and spiro benzimidazoles in high yields. The role of substituents in diamine in its reaction with various ketones and on the nature of product formation has been studied in detail. (C) 2003 Elsevier B.V. All rights reserved.