ethyl 3-{[3-(4-methoxyphenyl)isoxazol-5-yl]methyl}-2,7-dimethyl-4-oxo-5-(p-tolyl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃嘧啶类
• 英文名称: ethyl 3-{[3-(4-methoxyphenyl)isoxazol-5-yl]methyl}-2,7-dimethyl-4-oxo-5-(p-tolyl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carboxylate
• 英文别名: Ethyl 3-{[3-(4-methoxyphenyl)isoxazol-5-yl] methyl}-2,7-dimethyl-4-oxo-5-(p-tolyl)-3,5-dihydro-4h-pyrano[2,3-d]pyrimidine-6-carboxylate；ethyl 3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,7-dimethyl-5-(4-methylphenyl)-4-oxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
• 化学式: C₃₀H₂₉N₃O₆
• 分子量: 527.577
• InChiKey: FMVZVXXXACEKRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ethyl 6-amino-5-cyano-2-methyl-4-p-tolyl-4H-pyran-3-carboxylate 在 sodium hypochlorite 、 硫酸 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 水 、 丙酮 为溶剂， 生成 ethyl 3-{[3-(4-methoxyphenyl)isoxazol-5-yl]methyl}-2,7-dimethyl-4-oxo-5-(p-tolyl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carboxylate
  参考文献：
  名称：

  Synthesis and antibacterial activity of novel pyrano[2,3-d]pyrimidine-4-one–3-phenylisoxazole hybrids

  摘要：

  A series of ethyl 2,7-dimethyl-4-oxo-5-phenyl-3-[(3-phenylisoxazol-5-yl)methyl]-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carboxylates was synthesized and screened for antibacterial activity against Gram positive and Gram negative bacterial species. All new compounds were characterized by H-1, C-13 NMR, IR, and mass spectra. The results of the antibacterial study indicated that all compounds exhibited good to excellent antibacterial activity.

  DOI：

  10.1134/s1070363217040260