2,5-二氢-5-氧代-3-(2-吡啶)-1,2,4-三嗪-6-羧酸乙酯 | 36286-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 2,5-二氢-5-氧代-3-(2-吡啶)-1,2,4-三嗪-6-羧酸乙酯
• 英文名称: 3-(Pyridin-2-yl)-4H-1,2,4-triazin-5-one-6-carboxylic acid ethyl ester
• 英文别名: 5-oxo-3-pyridin-2-yl-4,5-dihydro-[1,2,4]triazine-6-carboxylic acid ethyl ester；6-Carbethoxy-3-(2-pyridyl)-5-(4H)-as-triazinon；Ethyl 5-hydroxy-3-(pyridin-2-YL)-1,2,4-triazine-6-carboxylate；ethyl 5-oxo-3-pyridin-2-yl-4H-1,2,4-triazine-6-carboxylate
• CAS: 36286-79-0
• 化学式: C₁₁H₁₀N₄O₃
• 分子量: 246.225
• InChiKey: NDKNJYTZXPCJNH-UHFFFAOYSA-N

物化性质

• 沸点：
  380.5±34.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  93
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2,5-二氢-5-氧代-3-(2-吡啶)-1,2,4-三嗪-6-羧酸乙酯 、 3-甲基苄胺 以 甲醇 为溶剂， 反应 24.0h， 以75%的产率得到N-(m-tolylmethyl)-5-oxo-3-(2-pyridyl)-4H-1,2,4-triazine-6-carboxamide
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of some 4H-1,2,4-triazin-5-one derivatives

  摘要：

  6-{(Arylmethylenamino)carbonyl]-3-(pyridin-2-yl)-4H-1,2,4-triazin-5-one derivatives were synthesized and tested for their in vitro antimycobacterial activity. Some compounds showed interesting activity against a strain of Mycobacterium tuberculosis. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(00)00074-4
• 作为产物：
  描述：

  2-吡啶氨基腙 、 酮基丙二酸二乙酯 以 乙醇 为溶剂， 反应 49.0h， 以51%的产率得到2,5-二氢-5-氧代-3-(2-吡啶)-1,2,4-三嗪-6-羧酸乙酯
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of some 4H-1,2,4-triazin-5-one derivatives

  摘要：

  6-{(Arylmethylenamino)carbonyl]-3-(pyridin-2-yl)-4H-1,2,4-triazin-5-one derivatives were synthesized and tested for their in vitro antimycobacterial activity. Some compounds showed interesting activity against a strain of Mycobacterium tuberculosis. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(00)00074-4

文献信息

• Synthesis and antimycobacterial activity of some 4H-1,2,4-triazin-5-one derivatives
  作者：Maria Grazia Mamolo、Valeria Falagiani、Daniele Zampieri、Luciano Vio、Elena Banfi

  DOI：10.1016/s0014-827x(00)00074-4

  日期：2000.11

  6-(Arylmethylenamino)carbonyl]-3-(pyridin-2-yl)-4H-1,2,4-triazin-5-one derivatives were synthesized and tested for their in vitro antimycobacterial activity. Some compounds showed interesting activity against a strain of Mycobacterium tuberculosis. (C) 2000 Elsevier Science S.A. All rights reserved.