4-(4-甲氧基苯基)-4-氧代-3-苯基丁酸 | 101597-51-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 4-(4-甲氧基苯基)-4-氧代-3-苯基丁酸
• 英文名称: 4-(4-methoxyphenyl)-4-oxo-3-phenylbutyric acid
• 英文别名: 4-(4-methoxy-phenyl)-4-oxo-3-phenyl-butyric acid；β-Phenyl-β-(4-methoxy-benzoyl)-propionsaeure；4-(4-Methoxy-phenyl)-4-oxo-3-phenyl-buttersaeure；β-Phenyl-β-anisoyl-propionsaeure；3-Phenyl-3-<4-methoxy-benzoyl>-propionsaeure；β-p-Methoxybenzoyl-β-phenylpropionsaeure；4-(4-Methoxyphenyl)-4-oxo-3-phenylbutanoic acid
• CAS: 101597-51-7
• 化学式: C₁₇H₁₆O₄
• 分子量: 284.312
• InChiKey: MGCVPSHTOBBDSI-UHFFFAOYSA-N

物化性质

• 熔点：
  147-148 °C(Solv: toluene (108-88-3))
• 沸点：
  488.6±35.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-甲氧基苯基)-4-氧代-3-苯基丁酸 在 三乙基硅烷 、 PPA 、 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 71.0h， 生成 (7-methoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetonitrile
  参考文献：
  名称：

  Design and synthesis of 3-phenyl tetrahydronaphthalenic derivatives as new selective MT2 melatoninergic ligands

  摘要：

  Tetrahydronaphthalenic analogues of melatonin have been synthesized and evaluated as melatonin receptor ligands. Introduction of a phenyl substituent in the 3-position of the tetraline ring allows to obtain MT2 selective ligands. Activity and MT2 selectivity can be modulated with suitable modifications of the N-acyl substituent. The (+)-(RR)-cis enantiomer of the N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydro-naphthalen-1-yl)ethyl]cyclobutyl carboxamide (14) is one of the most MT2 selective ligands described until now and behaves as an antagonist. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00473-x
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 4-(4-甲氧基苯基)-4-氧代-3-苯基丁酸
  参考文献：
  名称：

  Erlenmeyer jun.; Lattermann, Justus Liebigs Annalen der Chemie, 1904, vol. 333, p. 272

  摘要：

  DOI：

文献信息

• Pyridizinone derivatives
  申请人：Hudkins L. Robert

  公开号：US20080027041A1

  公开（公告）日：2008-01-31

  The present invention provides compounds of formula (I*): their use as H 3 inhibitors, processes for their preparation, and pharmaceutical compositions thereof.

  本发明提供了式(I*)的化合物：它们作为H3抑制剂的用途，其制备方法以及药物组合物。
• Pyridazinone Derivatives
  申请人：Bacon Edward R.

  公开号：US20110288075A1

  公开（公告）日：2011-11-24

  The present invention is directed to novel pyridazinone derivatives that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of the histamine H3 receptor, including, for example, neurodegenerative disorders, sleep/wake disorders, attention deficit hyperactivity disorder and cognition/cognitive disorders.

  本发明涉及新型吡啶并咪唑酮衍生物，可介导酶活性。特别是，这些化合物可能在治疗与组胺H3受体活性相关的疾病或疾病状态方面具有有效性，包括神经退行性疾病、睡眠/清醒障碍、注意力缺陷多动障碍和认知/认知障碍等。
• Pyridazinone derivatives
  申请人：Cephalon, Inc.

  公开号：US08207168B2

  公开（公告）日：2012-06-26

  The present invention is directed to novel pyridazinone derivatives that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of the histamine H3 receptor, including, for example, neurodegenerative disorders, sleep/wake disorders, attention deficit hyperactivity disorder and cognition disorders.

  本发明涉及介导酶活性的新型吡啶并咪唑酮衍生物。特别地，这些化合物可能对与组胺H3受体活性相关的疾病或疾病状态具有治疗作用，包括神经退行性疾病、睡眠/觉醒障碍、注意力缺陷多动障碍和认知障碍等。
• Pyridizinone derivatives and the use thereof as H3 inhibitors
  申请人：Cephalon, Inc.

  公开号：US08247414B2

  公开（公告）日：2012-08-21

  The present invention is directed to novel pyridizinone derivatives that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of the histamine H3 receptor, including, for example, neurodegenerative disorders, sleep/wake disorders, attention deficit hyperactivity disorder and cognition.

  本发明涉及新型的吡啶酮衍生物，可以介导酶活性。特别地，这些化合物可能对与组胺H3受体活性相关的疾病或疾病状态具有治疗作用，例如神经退行性疾病、睡眠/觉醒障碍、注意力缺陷多动障碍和认知障碍。
• PYRIDAZINONE DERIVATIVES
  申请人：Bacon Edward R.

  公开号：US20140142088A1

  公开（公告）日：2014-05-22

  The present invention is directed to novel pyridazinone derivatives that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of the histamine H3 receptor, including, for example, neurodegenerative disorders, sleep/wake disorders, attention deficit hyperactivity disorder and cognition.

  本发明涉及新型吡啶酮衍生物，可介导酶活性。特别地，这些化合物可能在治疗与组胺H3受体活性相关的疾病或疾病状态方面具有有效性，包括但不限于神经退行性疾病、睡眠/觉醒障碍、注意力缺陷多动障碍和认知方面。