4-(4-Fluoro-phenyl)-5-{2-[4-(2,4,5-trichloro-phenyl)-piperazin-1-yl]-ethyl}-3H-oxazol-2-one | 120944-55-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(4-Fluoro-phenyl)-5-{2-[4-(2,4,5-trichloro-phenyl)-piperazin-1-yl]-ethyl}-3H-oxazol-2-one
• 英文别名: 4-(4-fluorophenyl)-5-[2-[4-(2,4,5-trichlorophenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
• CAS: 120944-55-0
• 化学式: C₂₁H₁₉Cl₃FN₃O₂
• 分子量: 470.758
• InChiKey: FAPMLJRFRLYPEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  potassium cyanate 、 1-(4-Fluoro-phenyl)-2-hydroxy-4-[4-(2,4,5-trichloro-phenyl)-piperazin-1-yl]-butan-1-one 在 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 4-(4-Fluoro-phenyl)-5-{2-[4-(2,4,5-trichloro-phenyl)-piperazin-1-yl]-ethyl}-3H-oxazol-2-one
  参考文献：
  名称：

  5-Piperazinylalkyl-2(3H)-oxazolones with neuroleptic activity

  摘要：

  A series of new 4-aryl-5-[omega-(4-aryl-1-piperazinyl)alkyl]-2(3H)- oxazolones was synthesized and tested for neuroleptic activity in mice and rats. Several compounds exhibited interesting neuroleptic activity with very low liability to the extrapyramidal side effects. In particular the activity of 4-(4-fluorophenyl)-5-[2-[4-(3,5-dichlorophenyl)-1- piperazinyl]ethyl]-2(3H)-oxazolone (14) was greater than that of butropipazone and fluanisone, while of the same order of that of chlorpromazine; however, the product showed a longer lasting activity and minor ability to produce catalepsy as compared with the reference drugs.

  DOI：

  10.1021/jm00130a003

文献信息

• CASCIO, GIUSEPPE;MANGHISI, ELSO;FREGNAN, GIANCARLO, J. MED. CHEM., 32,(1989) N0, C. 2241-2247
  作者：CASCIO, GIUSEPPE、MANGHISI, ELSO、FREGNAN, GIANCARLO

  DOI：——

  日期：——