5-(m-(Trifluoromethyl)benzyl)hydantoin | 76605-52-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 5-(m-(Trifluoromethyl)benzyl)hydantoin
• 英文别名: 5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
• CAS: 76605-52-2
• 化学式: C₁₁H₉F₃N₂O₂
• 分子量: 258.2
• InChiKey: GHVUWTSFTPWSIT-UHFFFAOYSA-N

物化性质

• 熔点：
  170.5-172 °C(Solv: ethanol (64-17-5))
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(3-trifluoromethylbenzylidene)imidazoline-2,4-dione 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以86%的产率得到5-(m-(Trifluoromethyl)benzyl)hydantoin
  参考文献：
  名称：

  Potential anticonvulsants. 1. 5-Benzylhydantoins

  摘要：

  A selected group of alkoxy- and halogen-substituted 5-benzylidino- and 5-benzylhydantoins was prepared and screened for anticonvulsant activity as measured by the ability of the compound to prevent maximal electroshock and metrazol-induced threshold clonic seizures in rats. The structure-activity studies revealed 5-[3-(trifluoromethyl)benzyl]hydantoin (14) to be the most potent member of the series.

  DOI：

  10.1021/jm00136a018

文献信息

• MEHTA N. B.; DIUGUID C. A. R.; SOROKO F. E., J. MED. CHEM., 1981, 24, NO 4, 465-468
  作者：MEHTA N. B.、 DIUGUID C. A. R.、 SOROKO F. E.

  DOI：——

  日期：——
• Potential anticonvulsants. 1. 5-Benzylhydantoins
  作者：Nariman B. Mehta、Cheryl A. Risinger Diuguid、Francis E. Soroko

  DOI：10.1021/jm00136a018

  日期：1981.4

  A selected group of alkoxy- and halogen-substituted 5-benzylidino- and 5-benzylhydantoins was prepared and screened for anticonvulsant activity as measured by the ability of the compound to prevent maximal electroshock and metrazol-induced threshold clonic seizures in rats. The structure-activity studies revealed 5-[3-(trifluoromethyl)benzyl]hydantoin (14) to be the most potent member of the series.