2-carbethoxy-2-p-methoxyphenylcyclohexanone | 95793-86-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-carbethoxy-2-p-methoxyphenylcyclohexanone
• 英文别名: ethyl 1-(p-methoxyphenyl)-2-oxocyclohexanecarboxylate；Ethyl 1-(4-methoxyphenyl)-2-oxocyclohexanecarboxylate；ethyl 1-(4-methoxyphenyl)-2-oxocyclohexane-1-carboxylate
• CAS: 95793-86-5
• 化学式: C₁₆H₂₀O₄
• 分子量: 276.332
• InChiKey: MXHSUAJIDRSFFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (4-甲氧苯基)-lambda~2~-铅烷基-乙酸(1:3) 、 2-环己酮甲酸乙酯 在 吡啶 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以82%的产率得到2-carbethoxy-2-p-methoxyphenylcyclohexanone
  参考文献：
  名称：

  THE C-ARYLATION OF b-DICARBONYL COMPOUNDS: ETHYL 1-(p-METHOXYPHENYL)-2-OXOCYCLOHEXANECARBOXYLATE

  摘要：

  DOI：

  10.15227/orgsyn.062.0024

文献信息

• Pentavalent organobismuth reagents. Part vi. Comparative migratory aptitudes of aryl groups in the arylation of phenols and enols by pentavalent bismuth reagents
  作者：Derek H.R. Barton、Neerja Yadav Bhatnagar、Jean-Pierre Finet、William B. Motherwell

  DOI：10.1016/s0040-4020(01)87378-6

  日期：1986.1

  The relative migratory aptitudes of p-substituted aryl groups in moving from intermediates based on pentovalent bismuth to carbon have been investigated for the typical cases of 2-naphthol and 2-carbethoxycyclohexanone. The relative rates for p-OMe, p-Me and p-NO2 against p-h (phenyl) as standard have been measured using mixed arylbismuth derivatives. It is concluded that the migration is of the reductive

  对于2-萘酚和2-乙氧基环己酮的典型情况，已经研究了对位取代的芳基从基于五价铋的中间体迁移到碳时的相对迁移能力。使用混合的芳基铋衍生物已测量了p-OMe，p-Me和p-NO 2相对于ph（苯基）的相对比率。结论是迁移是还原消除型的，并且不涉及离散的离子或自由基。
• Cycloalkylamines as monoamine reuptake inhibitors
  申请人：Shao Liming

  公开号：US20070203111A1

  公开（公告）日：2007-08-30

  The invention relates to novel cyclohexylamine derivatives and their use in the treatment and/or prevention of central nervous system (CNS) disorders, such as depression, anxiety, schizophrenia and sleep disorder as well as methods for their synthesis. The invention also relates to pharmaceutical compositions containing the compounds of the invention, as well as methods of inhibiting reuptake of endogenous monoamines, such as dopamine, serotonin and norepinephrine from the synaptic cleft and methods of modulating one or more monoamine transporter.

  本发明涉及新型环己胺衍生物及其在中枢神经系统（CNS）疾病的治疗和/或预防中的应用，例如抑郁症、焦虑症、精神分裂症和睡眠障碍，以及它们的合成方法。本发明还涉及包含本发明化合物的制药组合物，以及抑制内源性单胺，如多巴胺、5-羟色胺和去甲肾上腺素从突触间隙中再摄取的方法和调节一个或多个单胺转运体的方法。
• CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS
  申请人：Shao Liming

  公开号：US20100190861A1

  公开（公告）日：2010-07-29

  The invention relates to novel cyclohexylamine derivatives and their use in the treatment and/or prevention of central nervous system (CNS) disorders, such as depression, anxiety, schizophrenia and sleep disorder as well as methods for their synthesis. The invention also relates to pharmaceutical compositions containing the compounds of the invention, as well as methods of inhibiting reuptake of endogenous monoamines, such as dopamine, serotonin and norepinephrine from the synaptic cleft and methods of modulating one or more monoamine transporter.

  本发明涉及新型环己基胺衍生物及其在治疗和/或预防中枢神经系统（CNS）疾病方面的应用，例如抑郁症，焦虑症，精神分裂症和睡眠障碍，以及它们的合成方法。本发明还涉及含有本发明化合物的制药组合物，以及抑制内源性单胺，如多巴胺，5-羟色胺和去甲肾上腺素从突触间隙中再摄取的方法，以及调节一个或多个单胺转运体的方法。
• BARTON D. H. R.; BHATNAGAR NEERJA YADAV; FINET J. -P.; MOTHERWELL W. B., TETRAHEDRON, 42,(1986) N 12, 3111-3122
  作者：BARTON D. H. R.、 BHATNAGAR NEERJA YADAV、 FINET J. -P.、 MOTHERWELL W. B.

  DOI：——

  日期：——
• US8877975B2
  申请人：——

  公开号：US8877975B2

  公开（公告）日：2014-11-04