trans-N<4-(p-Nitrophenyl)-cyclohexyl>acetamid | 40503-80-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-N<4-(p-Nitrophenyl)-cyclohexyl>acetamid
• CAS: 40503-80-8
• 化学式: C₁₄H₁₈N₂O₃
• 分子量: 262.309
• InChiKey: CABACUJTIATWRA-AULYBMBSSA-N

物化性质

• 沸点：
  482.3±44.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.24
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  trans-N<4-(p-Nitrophenyl)-cyclohexyl>acetamid 在 盐酸 、 甲醇 作用下， 生成 trans-4-(p-Nitrophenyl)-cyclohexylamin
  参考文献：
  名称：

  联苯部分还原为中枢神经系统制剂。2.顺式和反式4-芳基环己胺。

  摘要：

  DOI：

  10.1021/jm00282a009
• 作为产物：
  描述：

  N-cyclohexyl-N-phenylacetamide 在 硝酸 、 三氟乙酸 作用下， 生成 trans-N<4-(p-Nitrophenyl)-cyclohexyl>acetamid
  参考文献：
  名称：

  联苯部分还原为中枢神经系统制剂。2.顺式和反式4-芳基环己胺。

  摘要：

  DOI：

  10.1021/jm00282a009

文献信息

• 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts
  申请人：The Upjohn Company

  公开号：US03960961A1

  公开（公告）日：1976-06-01

  This invention relates to novel 4-phenylcyclohexylamines embraced by the formula ##SPC1## Wherein .about. is a generic expression denoting cis and trans stereoconfiguration and mixtures thereof; R is selected from the group consisting of alkyl of from one through four carbon atoms, fluorine, chlorine, bromine, trifluoromethyl, nitro and alkoxy of from one through four carbon atoms; R' and R.sup.1 are selected from the group consisting of hydrogen and alkyl of from one through four carbon atoms; R.sup.2 is selected from the group consisting of hydrogen, alkyl of from one through four carbon atoms, alkanoyl of from one through three carbon atoms, alkylsulfonyl of from one through three carbon atoms, arylsulfonyl of from six through ten carbon atoms, alkylcarbamoyl wherein alkyl is from one through four carbon atoms, alkoxycarbonyl wherein alkyl is from one through four carbon atoms, ring monosubstituted aroylalkyl wherein the substituents have the same meaning as R, above, aryl is from six through ten carbon atoms and alkyl is from one through six carbon atoms and bis (ring monosubstituted) arylalkyl wherein the substituents have the same meaning as R, above, aryl is from six through ten carbon atoms and alkyl is from one through six carbon atoms; R.sup.1 and R.sup.2 when taken together with --N< is a saturated heterocyclic amino radical selected from the group consisting of unsubstituted and monosubstituted pyrrolidino, piperidino, hexamethylenimino, morpholino and piperazino; and an acid addition salt thereof. It also relates to intermediates and processes for the preparation of the aforesaid novel compounds (1) and novel derivatives thereof. The systemic administration to humans and animals of the novel compounds (1) depresses their central nervous systems.

  本发明涉及新型4-苯基环己胺，其式为##SPC1## 其中，.about.是一种通用表达式，表示顺式和反式构型及其混合物；R选自由1个至4个碳原子的烷基，氟，氯，溴，三氟甲基，硝基和由1个至4个碳原子的烷氧基组成的群；R'和R1选自由1个至4个碳原子的氢和烷基组成的群；R2选自由1个至4个碳原子的烷基，由1个至3个碳原子的烷酰基，由1个至3个碳原子的烷基磺酰基，由6个至10个碳原子的芳基磺酰基，其中烷基由1个至4个碳原子组成，由1个至4个碳原子的烷氧羰基，环单取代芳基烷基，其中取代基与上述R具有相同的含义，芳基由6个至10个碳原子组成，烷基由1个至6个碳原子组成，以及双（环单取代）芳基烷基，其中取代基与上述R具有相同的含义，芳基由6个至10个碳原子组成，烷基由1个至6个碳原子组成；当R1和R2与--N<一起取时，它是由未取代和单取代的吡咯烷基，哌嗪基，六亚甲基亚胺基，吗啉基和哌嗪基组成的饱和杂环氨基自由基，以及其酸加成盐。本发明还涉及制备上述新化合物（1）及其新衍生物的中间体和制备过程。将新化合物（1）系统地用于人类和动物，可抑制其中枢神经系统。