methyl 5-(4-fluorophenyl)-3-pyridin-4-yl-4H-1,2-oxazole-5-carboxylate | 1430088-23-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 5-(4-fluorophenyl)-3-pyridin-4-yl-4H-1,2-oxazole-5-carboxylate
• CAS: 1430088-23-5
• 化学式: C₁₆H₁₃FN₂O₃
• 分子量: 300.289
• InChiKey: WEOINZYFTXINLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  60.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-吡啶甲醛 、 聚合甲醛 、 4-氟苯基乙酸甲酯 在 盐酸羟胺 、 sodium acetate 、 四丁基碘化铵 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 2.5h， 以44%的产率得到methyl 5-(4-fluorophenyl)-3-pyridin-4-yl-4H-1,2-oxazole-5-carboxylate
  参考文献：
  名称：

  One-Pot High-Throughput Synthesis of a 160-Membered Library of Methyl 3,5-Diaryl-isoxazoline-5-carboxylate Pharmacophores by a 2·2·2-Component Reaction

  摘要：

  A simple and efficient methodology has been developed for the synthesis of methyl 3,5-diaryl-isoxazoline-5-carboxylates in a high-throughput fashion. This was accomplished in one-pot by a sequence of three 2-component reactions steps (2.2.2-CR), whereby compounds were obtained in overall 30-66% isolated yields. The functional group diversity was established by synthesizing a 160-membered library.

  DOI：

  10.1021/co400015w

文献信息

• One-Pot High-Throughput Synthesis of a 160-Membered Library of Methyl 3,5-Diaryl-isoxazoline-5-carboxylate Pharmacophores by a 2·2·2-Component Reaction
  作者：Kallolmay Biswas、Arvind Kumar、Koushik Das Sarma

  DOI：10.1021/co400015w

  日期：2013.5.13

  A simple and efficient methodology has been developed for the synthesis of methyl 3,5-diaryl-isoxazoline-5-carboxylates in a high-throughput fashion. This was accomplished in one-pot by a sequence of three 2-component reactions steps (2.2.2-CR), whereby compounds were obtained in overall 30-66% isolated yields. The functional group diversity was established by synthesizing a 160-membered library.