4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)-methyl]benzoic acid methyl ester | 87807-95-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)-methyl]benzoic acid methyl ester
• 英文别名: methyl 4-<(4-acetyl-3-hydroxy-2-propylphenoxy)methyl>benzoate；methyl 4-(4-acetyl-3-hydroxy-2-propylphenoxy)methylbenzoate；4-[(4-Acetyl-3-hydroxy-2-propylphenoxy) methyl]benzoic acid methyl ester；4-(4-acetyl-3-hydroxy-2-propyl-phenoxymethyl)-benzoic acid methyl ester；methyl 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]benzoate；4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]benzoic acid methyl ester
• CAS: 87807-95-2
• 化学式: C₂₀H₂₂O₅
• 分子量: 342.392
• InChiKey: VVTCODWITPMLBK-UHFFFAOYSA-N

物化性质

• 熔点：
  98-100 °C(Solv: hexane (110-54-3))
• 沸点：
  511.3±50.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)-methyl]benzoic acid methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以83%的产率得到4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl] benzoic acid
  参考文献：
  名称：

  Derivatives of 4-acetyl-3-hydroxy-2-alkyl-phenoxycarboxylic acids

  摘要：

  该发明涉及以下式的化合物：##STR1## 其中R为氢或较低的烷基，Y为亚烷基；Z为亚烷基，##STR2## 这里的星号表示与取代的乙酰苯酮的结合；R.sub.2为氢或较低的烷氧基；n为1至3的整数；A为##STR3## HET为含氮的5-或6-成员杂环基团，以及它们的酸盐。该发明的式I化合物对于治疗过敏症状，如哮喘和心血管疾病，如心绞痛和心律失常，具有用处。

  公开号：

  US04672066A1
• 作为产物：
  描述：

  2,4-二羟基-3-丙基苯乙酮 、 4-溴甲基苯甲酸甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 4.0h， 以98%的产率得到4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)-methyl]benzoic acid methyl ester
  参考文献：
  名称：

  [EN] ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  [FR] POTENTIALISATEURS ACETOPHENONES DES RECEPTEURS METABOTROPIQUES DU GLUTAMATE

  摘要：

  公开号：

  WO2004018386A3

文献信息

• Pharmaceutically active phenylcarboxylic acid derivatives
  申请人：ICI Americas Inc.

  公开号：US04499299A1

  公开（公告）日：1985-02-12

  Compounds which antagonize the slow-reacting substance of anaphylaxis or components thereof, e.g., leukotrienes, in warm blooded animals as well as intermediates and methods for their preparation, pharmaceutical compositions and methods for their administration. The compounds are diphenyl carboxylic acids with particular linking groups between the individual phenyl rings and the carboxylic acid moiety. Particular utilities are to relieve asthma and inflammation in man.

  拮抗温血动物过敏性慢反应物质或其组分的化合物，例如白三烯，以及用于制备它们的中间体和方法，药物组合物及其给药方法。这些化合物是二苯甲酸，具有特定的连接基团，分别连接各个苯环和羧酸部分。特定的用途是用于缓解人类的哮喘和炎症。
• Acetophenone potentiators of metabotropic glutamate receptors
  申请人：Cube V. Rowena

  公开号：US20050288346A1

  公开（公告）日：2005-12-29

  The present invention is directed to compounds which are potentiators of metabotropic glutamate receptors, including the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及激活型代谢型谷氨酸受体的化合物，包括mGluR2受体，适用于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及涉及代谢型谷氨酸受体的疾病。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物和组合物预防或治疗涉及代谢型谷氨酸受体的疾病。
• Hydroxyacetophenone-derived antagonists of the peptidoleukotrienes
  作者：Frederick J. Brown、Peter R. Bernstein、Laura A. Cronk、David L. Dosset、Kevin C. Hebbel、Thomas P. Maduskuie、Howard S. Shapiro、Edward P. Vacek、Ying K. Yee

  DOI：10.1021/jm00124a014

  日期：1989.4

  Considerations of the possible similarities between leukotriene D4 and its prototypical antagonist, FPL 55712, led to the development of a new series of leukotriene antagonists incorporating a hydroxyacetophenone group (e.g., the toluic acids 16 and 18). Although considerable attention has focused on FPL 55712-derived analogues, only limited investigations into alternatives for the standard 4-acetyl-3-hydroxy-2-propylphenoxy moiety have been reported. Therefore, an extensive study of modifications to the hydroxyacetophenone portion of toluic acid 18 was undertaken. Although no viable alternative to the 3-hydroxy moiety was discovered, replacements for the 2-propyl group (34, 37) and the 4-acetyl functionality (56, 59) yielded potent antagonists. A number of compounds exhibited longer duration of action in vivo than FPL 55712.
• BROWN, FREDERICK J.;BERNSTEIN, PETER R.;CRONK, LAURA A.;DOSSET, DAVID L.;+, J. MED. CHEM., 32,(1989) N, C. 807-826
  作者：BROWN, FREDERICK J.、BERNSTEIN, PETER R.、CRONK, LAURA A.、DOSSET, DAVID L.、+

  DOI：——

  日期：——
• ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  申请人：Merck & Co., Inc.

  公开号：EP1556038A2

  公开（公告）日：2005-07-27