4-1-<4-(4-fluorophenyl)-4-oxobutyl>piperidine | 98634-79-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-1-<4-(4-fluorophenyl)-4-oxobutyl>piperidine
• 英文别名: 4-[4-(4-fluoro-N-(4-fluorophenyl)anilino)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
• CAS: 98634-79-8
• 化学式: C₂₇H₂₇F₃N₂O
• 分子量: 452.519
• InChiKey: KGQDTMJKTDWTGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氯吡啶盐酸盐 在 palladium on activated charcoal N-甲基吡咯烷酮 、 sodium tetrahydroborate 、 氢气 、 溴甲苯 、 sodium carbonate 、 potassium carbonate 、 potassium iodide 、 copper(I) bromide 作用下， 以 溶剂黄146 为溶剂， 反应 56.0h， 生成 4-1-<4-(4-fluorophenyl)-4-oxobutyl>piperidine
  参考文献：
  名称：

  Neuroleptic activity of chiral trans-hexahydro-.gamma.-carbolines

  摘要：

  A series of trans-8-fluoro-5-(4-fluorophenyl)-2,3,4,4a,5, 9b-hexahydro-1H-pyrido[4,3-b]indoles with various N-2 substituents has been prepared and tested for neuroleptic activity [( 3H]spiroperidol binding and amphetamine antagonism). Several members of this series showed exceptional in vivo potency, especially the hydantoin derivatives 27-30. Resolution into the enantiomers showed that neuroleptic activity is associated with the 4aS,9bS absolute configuration. These rigid neuroleptics have been correlated with other rigid neuroleptics [(+)-dexclamol, Ro 22-1319] and can serve to further define the topography of the dopamine receptor.

  DOI：

  10.1021/jm00151a002

文献信息

• Neuroleptic activity of chiral trans-hexahydro-.gamma.-carbolines
  作者：Reinhard Sarges、Harry R. Howard、Kathy M. Donahue、Williard M. Welch、Beryl W. Dominy、Albert Weissman、B. Kenneth Koe、Jon Bordner

  DOI：10.1021/jm00151a002

  日期：1986.1

  A series of trans-8-fluoro-5-(4-fluorophenyl)-2,3,4,4a,5, 9b-hexahydro-1H-pyrido[4,3-b]indoles with various N-2 substituents has been prepared and tested for neuroleptic activity [( 3H]spiroperidol binding and amphetamine antagonism). Several members of this series showed exceptional in vivo potency, especially the hydantoin derivatives 27-30. Resolution into the enantiomers showed that neuroleptic activity is associated with the 4aS,9bS absolute configuration. These rigid neuroleptics have been correlated with other rigid neuroleptics [(+)-dexclamol, Ro 22-1319] and can serve to further define the topography of the dopamine receptor.