Ethyl 4-ethyl-3-oxo-6-(trifluoromethyl)quinoxaline-2-carboxylate | 219485-23-1

• 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: Ethyl 4-ethyl-3-oxo-6-(trifluoromethyl)quinoxaline-2-carboxylate
• CAS: 219485-23-1
• 化学式: C₁₄H₁₃F₃N₂O₃
• 分子量: 314.264
• InChiKey: MBDJXMSZRUYUMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ethyl 4-ethyl-3-oxo-6-(trifluoromethyl)quinoxaline-2-carboxylate 在 sodium hydroxide 、 水 作用下， 反应 1.0h， 以43%的产率得到4-Ethyl-3-oxo-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
  参考文献：
  名称：

  Synthesis of substituted 2-ethoxycarbonyl- and 2-carboxyquinoxalin-3-ones for evaluation of antimicrobial and anticancer activity

  摘要：

  A series of variously substituted quinoxalin-3-ones bearing an ethoxycarbonyl or carboxy group in the C-2 position has been prepared and their structures proved by H-1 NMR spectroscopy. The obtained compounds were investigated in vitro for antimicrobial and anticancer activities. Preliminary results showed a moderate activity against a few strains of bacteria but no significant anticancer and anti-HIV activity. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00044-5
• 作为产物：
  描述：

  4-氨基-3-硝基三氟甲苯 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 paraffin 为溶剂， 反应 10.0h， 生成 Ethyl 4-ethyl-3-oxo-6-(trifluoromethyl)quinoxaline-2-carboxylate
  参考文献：
  名称：

  Synthesis of substituted 2-ethoxycarbonyl- and 2-carboxyquinoxalin-3-ones for evaluation of antimicrobial and anticancer activity

  摘要：

  A series of variously substituted quinoxalin-3-ones bearing an ethoxycarbonyl or carboxy group in the C-2 position has been prepared and their structures proved by H-1 NMR spectroscopy. The obtained compounds were investigated in vitro for antimicrobial and anticancer activities. Preliminary results showed a moderate activity against a few strains of bacteria but no significant anticancer and anti-HIV activity. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00044-5

文献信息

• Synthesis of substituted 2-ethoxycarbonyl- and 2-carboxyquinoxalin-3-ones for evaluation of antimicrobial and anticancer activity
  作者：Paolo Sanna、Antonio Carta、Mario Loriga、Stefania Zanetti、Leonardo Sechi

  DOI：10.1016/s0014-827x(98)00044-5

  日期：1998.7

  A series of variously substituted quinoxalin-3-ones bearing an ethoxycarbonyl or carboxy group in the C-2 position has been prepared and their structures proved by H-1 NMR spectroscopy. The obtained compounds were investigated in vitro for antimicrobial and anticancer activities. Preliminary results showed a moderate activity against a few strains of bacteria but no significant anticancer and anti-HIV activity. (C) 1998 Elsevier Science S.A. All rights reserved.