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 | 881997-33-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 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
• CAS: 881997-33-7
• 化学式: C₂₃H₂₉N₃O₇
• 分子量: 459.499
• InChiKey: YFUVOJVXFFRPMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  119.67
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  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 在 双(2-氧代-3-恶唑烷基)次磷酰氯 、 溶剂黄146 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 4-[(3-[(1E)-3-tert-butoxy-3-oxoprop-1-enyl]-8-{[(4-tert-butyl-1,3-thiazol-2-yl)amino]carbonyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid trifluoroacetate
  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：

  4-(9-borabicyclo[3.3.1]nonan-9-ylmethyl)-1-(tert-butoxycarbonyl)piperidine 在 sodium hydroxide 、 9-硼双环[3.3.1]壬烷 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 5.0h， 生成 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