methyl 2-{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}-3-(1,3-dioxolan-2-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylate | 881997-32-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 2-{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}-3-(1,3-dioxolan-2-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylate
• CAS: 881997-32-6
• 化学式: C₂₄H₃₁N₃O₇
• 分子量: 473.526
• InChiKey: RJAHAVNXLOGPQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  108.67
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  methyl 2-{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}-3-(1,3-dioxolan-2-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以83%的产率得到2-{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}-3-(1,3-dioxolan-2-yl)-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：

  methyl 2-chloro-3-formyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylate 在 Amberlyst 15 、 9-硼双环[3.3.1]壬烷 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 7.0h， 生成 methyl 2-{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}-3-(1,3-dioxolan-2-yl)-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