2,2,2-Trifluor-N-(5-phenyl-3-isoxazolyl)-acetamid | 62847-46-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2,2-Trifluor-N-(5-phenyl-3-isoxazolyl)-acetamid
• 英文别名: 2,2,2-trifluoro-N-(5-phenyl-isoxazol-3-yl)-acetamide；2,2,2-trifluoro-N-(5-phenyl-1,2-oxazol-3-yl)acetamide
• CAS: 62847-46-5
• 化学式: C₁₁H₇F₃N₂O₂
• 分子量: 256.184
• InChiKey: UNVRFBRPBDRBIG-UHFFFAOYSA-N

物化性质

• 熔点：
  210.0-210.5 °C
• 沸点：
  402.5±45.0 °C(Predicted)
• 密度：
  1.421±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2,2-Trifluor-N-(5-phenyl-3-isoxazolyl)-acetamid 在 磺酰氯 作用下， 反应 0.33h， 生成 4-Chlor-5-phenyl-3-(2,2,2-trifluoracetamido)-isoxazol
  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
• 作为产物：
  描述：

  3-氨基-5-苯基异噁唑 以95%的产率得到
  参考文献：
  名称：

  CARR J. B.; DURHAM H. G.; HASS D. K., J. MED. CHEM. , 1977, 20, NO 7, 934-939

  摘要：

  DOI：

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.
• CARR J. B.; DURHAM H. G.; HASS D. K., J. MED. CHEM. <JMCM-AR>, 1977, 20, NO 7, 934-939
  作者：CARR J. B.、 DURHAM H. G.、 HASS D. K.

  DOI：——

  日期：——