2-(6-Nitro-3-oxo-3,4-dihydro-quinoxalin-2-yl)-propionic acid ethyl ester | 230953-80-7

• 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-(6-Nitro-3-oxo-3,4-dihydro-quinoxalin-2-yl)-propionic acid ethyl ester
• 英文别名: ethyl 2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)propanoate
• CAS: 230953-80-7
• 化学式: C₁₃H₁₃N₃O₅
• 分子量: 291.263
• InChiKey: YGLZFNTYTLIOAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(6-Nitro-3-oxo-3,4-dihydro-quinoxalin-2-yl)-propionic acid ethyl ester 在 sodium hydroxide 、 水 作用下， 反应 2.0h， 以79%的产率得到3-ethyl-7-nitro-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 以 乙醇 、 丙酮 为溶剂， 反应 3.0h， 生成 2-(6-Nitro-3-oxo-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.