1-(4-fluorophenyl)-2-hydroxy-4-<4-(2-pyridyl)-1-piperazinyl>-1-butanone | 51037-58-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-fluorophenyl)-2-hydroxy-4-<4-(2-pyridyl)-1-piperazinyl>-1-butanone
• 英文别名: 1-(4-fluoro-phenyl)-2-hydroxy-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-one；4'-Fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)butyrophenone；1-(4-fluorophenyl)-2-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
• CAS: 51037-58-2
• 化学式: C₁₉H₂₂FN₃O₂
• 分子量: 343.401
• InChiKey: NZZWBFNPUPCSLD-UHFFFAOYSA-N

物化性质

• 熔点：
  103-105 °C(Solv: ethanol (64-17-5))
• 沸点：
  543.8±50.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  光气 、 1-(4-fluorophenyl)-2-hydroxy-4-<4-(2-pyridyl)-1-piperazinyl>-1-butanone 在 氨 、 三乙胺 作用下， 生成 4-(4-Fluoro-phenyl)-5-[2-(4-pyridin-2-yl-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
• 作为产物：
  描述：

  4-氯-4'-氟苯丁酮 在 溴 、 calcium carbonate 、 potassium iodide 作用下， 以 甲醇 、 氯仿 、 甲苯 为溶剂， 反应 52.0h， 生成 1-(4-fluorophenyl)-2-hydroxy-4-<4-(2-pyridyl)-1-piperazinyl>-1-butanone
  参考文献：
  名称：

  Cascio; Erba; Manghisi, Farmaco, Edizione Scientifica, 1980, vol. 35, # 7, p. 605 - 614

  摘要：

  DOI：

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：——
• US3951978A
  申请人：——

  公开号：US3951978A

  公开（公告）日：1976-04-20
• 5-Piperazinylalkyl-2(3H)-oxazolones with neuroleptic activity
  作者：Giuseppe Cascio、Elso Manghisi、Giancarlo Fregnan

  DOI：10.1021/jm00130a003

  日期：1989.10

  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.
• Cascio; Erba; Manghisi, Farmaco, Edizione Scientifica, 1980, vol. 35, # 7, p. 605 - 614
  作者：Cascio、Erba、Manghisi、Biazzi、Ferni、Fregnan

  DOI：——

  日期：——