5-pent-4-enyloxy-3-phenyl-isoxazole | 62847-61-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-pent-4-enyloxy-3-phenyl-isoxazole
• 英文别名: 3-Phenyl-5-(4-pentenyloxy)isoxazol；5-Pent-4-enoxy-3-phenyl-1,2-oxazole
• CAS: 62847-61-4
• 化学式: C₁₄H₁₅NO₂
• 分子量: 229.279
• InChiKey: GJHXMNUNOBQVFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-戊烯-1-醇 、 5-氯-3-苯基恶唑 生成 5-pent-4-enyloxy-3-phenyl-isoxazole
  参考文献：
  名称：

  Isoxazole anthelmintics

  摘要：

  A series of 3-halo-5-phenyl- and 3-phenyl-5-haloisoxazoles has demonstrated anthelmintic activity at doses ranging from 16 to 500 mg/kg orally against the rat roundworm, Nippostrongylus braziliensis. In the 5-phenyl series a halogen at the 3 position of the isoxazole ring was required for activity. However, in the 3-phenyl series activity was maintained after replacement of the 5-halogen with certain alkoxyl, thioalkoxyl, or amino groups. The 3-phenyl and 5-phenyl series apparently are not acting biologically at a common receptor site. Synthetic methods and structure-activity relationships are discussed.

  DOI：

  10.1021/jm00217a014