3-(diethylamino)-5-(2-ethoxy-4-methoxyphenyl)isoxazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(diethylamino)-5-(2-ethoxy-4-methoxyphenyl)isoxazole
• 英文别名: 3-isoxazolamine, 5-(2-ethoxy-4-methoxyphenyl)-N,N-diethyl-；5-(2-ethoxy-4-methoxyphenyl)-N,N-diethyl-1,2-oxazol-3-amine
• 化学式: C₁₆H₂₂N₂O₃
• 分子量: 290.362
• InChiKey: ROXCYCOZEPLSNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  47.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(diethylamino)-7-methoxychromone 在 吡啶 、 氢氧化钾 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 26.0h， 生成 3-(diethylamino)-5-(2-ethoxy-4-methoxyphenyl)isoxazole
  参考文献：
  名称：

  Synthesis of new 3,5-disubstituted isoxazoles with specific anti-group B rhinovirus activity in vitro

  摘要：

  3,5-Disubstituted isoxazoles 4a-f were synthesized as potential anti-rhinovirus agents. These compounds were prepared in good yield by treatment of the corresponding 2-(dialkylamino)chromones 3a-f with hydroxylamine. Compounds 4 were demethylated to obtain dihydroxyderivatives 5, which were then transformed in acetyl-6 and alkylderivatives 7. The methylenbisderivatives 9 were obtained by reaction of bischromones 8 with hydroxylamine. Most compounds were subjected to antiviral screening. Compounds 4c, 7a, 7b and 7c were found to be specific inhibitors of group B rhinoviruses.

  DOI：

  10.1016/0223-5234(93)90025-a