2-(3-Oxo-6-trifluoromethyl-3,4-dihydro-quinoxalin-2-yl)-propionic acid ethyl ester

• 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: 2-(3-Oxo-6-trifluoromethyl-3,4-dihydro-quinoxalin-2-yl)-propionic acid ethyl ester
• 英文别名: ethyl 2-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]propanoate
• 化学式: C₁₄H₁₃F₃N₂O₃
• 分子量: 314.264
• InChiKey: XASNNFVQYWSPSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  67.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(3-Oxo-6-trifluoromethyl-3,4-dihydro-quinoxalin-2-yl)-propionic acid ethyl ester 在 sodium hydroxide 、 水 作用下， 反应 2.0h， 以71%的产率得到3-Ethyl-7-trifluoromethyl-1H-quinoxalin-2-one
  参考文献：
  名称：

  Synthesis of 3,6,7-substituted-quinoxalin-2-ones for evaluation of antimicrobial and anticancer activity. Part 2

  摘要：

  A new set of 35 3-alkyl and 3-ethoxycarbonylalkyl 6- and/or 7-substituted-2-quinoxalinones was prepared and submitted to a preliminary in vitro investigation of their antimicrobial, anticancer and anti-HIV activities. Results are referred. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00010-5
• 作为产物：
  描述：

  草酰丙酸二乙酯 、 3,4-二胺基苄氧基三氟化物 以 乙醇 为溶剂， 反应 2.0h， 以45%的产率得到2-(3-Oxo-6-trifluoromethyl-3,4-dihydro-quinoxalin-2-yl)-propionic acid ethyl ester
  参考文献：
  名称：

  Synthesis of 3,6,7-substituted-quinoxalin-2-ones for evaluation of antimicrobial and anticancer activity. Part 2

  摘要：

  A new set of 35 3-alkyl and 3-ethoxycarbonylalkyl 6- and/or 7-substituted-2-quinoxalinones was prepared and submitted to a preliminary in vitro investigation of their antimicrobial, anticancer and anti-HIV activities. Results are referred. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00010-5

文献信息

• Synthesis of 3,6,7-substituted-quinoxalin-2-ones for evaluation of antimicrobial and anticancer activity. Part 2
  作者：Paolo Sanna、Antonio Carta、Mario Loriga、Stefania Zanetti、Leonardo Sechi

  DOI：10.1016/s0014-827x(99)00010-5

  日期：1999.3

  A new set of 35 3-alkyl and 3-ethoxycarbonylalkyl 6- and/or 7-substituted-2-quinoxalinones was prepared and submitted to a preliminary in vitro investigation of their antimicrobial, anticancer and anti-HIV activities. Results are referred. (C) 1999 Elsevier Science S.A. All rights reserved.