3-Ethoxy-2-ethoxycarbonylquinoxaline | 49679-55-2

• 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: 3-Ethoxy-2-ethoxycarbonylquinoxaline
• 英文别名: ethyl 3-ethoxyquinoxaline-2-carboxylate；3-ethoxy-quinoxaline-2-carboxylic acid ethyl ester；3-Aethoxy-chinoxalin-2-carbonsaeure-aethylester
• CAS: 49679-55-2
• 化学式: C₁₃H₁₄N₂O₃
• 分子量: 246.266
• InChiKey: JFUYWWDDVUQSRY-UHFFFAOYSA-N

物化性质

• 熔点：
  25 °C
• 沸点：
  354.3±37.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Ethoxy-2-ethoxycarbonylquinoxaline 在 氢氧化钾 作用下， 生成 3-乙氧基-2-喹喔啉羧酸
  参考文献：
  名称：

  Gowenlock et al., Journal of the Chemical Society, 1945, p. 622,625

  摘要：

  DOI：
• 作为产物：
  描述：

  二氧代琥珀酸二乙酯 在 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 3-Ethoxy-2-ethoxycarbonylquinoxaline
  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

• Harayama, Takashi; Tezuka, Yasuhiro; Taga, Tooru, Journal of the Chemical Society. Perkin transactions I, 1987, p. 75 - 84
  作者：Harayama, Takashi、Tezuka, Yasuhiro、Taga, Tooru、Yoneda, Fumio

  DOI：——

  日期：——
• HARAYAMA TAKASHI; TEZUKA YASUHIRO; TAGA TOORU; YONEDA FUMIO, J. CHEM. SOC. PERKIN TRANS,(1987) N 1, 75-83
  作者：HARAYAMA TAKASHI、 TEZUKA YASUHIRO、 TAGA TOORU、 YONEDA FUMIO

  DOI：——

  日期：——
• 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.
• Gowenlock et al., Journal of the Chemical Society, 1945, p. 622,625
  作者：Gowenlock et al.

  DOI：——

  日期：——