methyl 2-ethyl-3-formyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylate | 881997-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: methyl 2-ethyl-3-formyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylate
• CAS: 881997-14-4
• 化学式: C₁₃H₁₂N₂O₄
• 分子量: 260.249
• InChiKey: YDNOJACNKLAOJX-UHFFFAOYSA-N

物化性质

• 沸点：
  398.3±52.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.86
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  77.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  methyl 2-ethyl-3-formyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-[(1E)-3-tert-butoxy-3-oxoprop-1-enyl]-2-ethyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylic acid
  参考文献：
  名称：

  MexAB-OprM specific efflux pump inhibitors in Pseudomonas aeruginosa. Part 5: Carbon-substituted analogues at the C-2 position

  摘要：

  A series of 4-oxo-4-1-pyrido[1,2-a]pyimidine derivatives, derivatized at the 2-position with carbon-linked substituents, were synthesized and evaluated for their ability to potentiate the activity of the fluoroquinolone levofloxacin (LVFX) and the anti-pseudomonas beta-lactam aztreonarn (AZT) in Pseudomonas aeruginosa. Palladium-catalyzed cross-coupling methods were applied for the incorporation of aliphatic and aromatic substituents. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.10.043
• 作为产物：
  描述：

  4H-Pyrido[1,2-a]pyrimidine-8-carboxylic acid,3-(dimethoxymethyl)-2-ethyl-4-oxo-, methyl ester 在 甲酸 作用下， 反应 1.17h， 以201 mg的产率得到methyl 2-ethyl-3-formyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylate
  参考文献：
  名称：

  MexAB-OprM specific efflux pump inhibitors in Pseudomonas aeruginosa. Part 5: Carbon-substituted analogues at the C-2 position

  摘要：

  A series of 4-oxo-4-1-pyrido[1,2-a]pyimidine derivatives, derivatized at the 2-position with carbon-linked substituents, were synthesized and evaluated for their ability to potentiate the activity of the fluoroquinolone levofloxacin (LVFX) and the anti-pseudomonas beta-lactam aztreonarn (AZT) in Pseudomonas aeruginosa. Palladium-catalyzed cross-coupling methods were applied for the incorporation of aliphatic and aromatic substituents. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.10.043