5-(2-ethylsulfanyl-ethoxy)-3-phenyl-isoxazole | 62847-62-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(2-ethylsulfanyl-ethoxy)-3-phenyl-isoxazole
• 英文别名: 3-Phenyl-5-(ethylthioethoxy)isoxazol；5-(2-Ethylsulfanylethoxy)-3-phenyl-1,2-oxazole
• CAS: 62847-62-5
• 化学式: C₁₃H₁₅NO₂S
• 分子量: 249.334
• InChiKey: ZHJXTTPCJABIBH-UHFFFAOYSA-N

物化性质

• 熔点：
  64-65 °C(Solv: hexane (110-54-3))
• 沸点：
  415.5±35.0 °C(Predicted)
• 密度：
  1.142±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  60.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙基2-羟乙基硫醚 、 5-氯-3-苯基恶唑 生成 5-(2-ethylsulfanyl-ethoxy)-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

文献信息

• Isoxazole anthelmintics
  作者：John B. Carr、Harry G. Durham、D. Kendall Hass

  DOI：10.1021/jm00217a014

  日期：1977.7

  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.