(R,S)-2-(4-Chloro-2-methylphenoxy)butanoic acid | 25204-89-1

• 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: (R,S)-2-(4-Chloro-2-methylphenoxy)butanoic acid
• 英文别名: 2-(2-methyl-4-chlorophenoxy)-butyric acid；(4-chloro-2-methylphenoxy)butyric acid；4-chloro-o-tolyloxybutyric acid；2-methyl-4-chlorophenoxybutyric acid；2-(4-chloro-2-methyl-phenoxy)-butyric acid；2-(4-Chlor-2-methyl-phenoxy)-buttersaeure；2-(4-Chloro-2-methylphenoxy)butanoic acid
• CAS: 25204-89-1
• 化学式: C₁₁H₁₃ClO₃
• 分子量: 228.675
• InChiKey: GVMOTDXEGIBMCK-UHFFFAOYSA-N

物化性质

• 熔点：
  74 °C
• 沸点：
  345.1±27.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R,S)-2-(4-Chloro-2-methylphenoxy)butanoic acid 、 α-溴-2,3,4,5,6-五氟甲基苯酸酯 生成 (2,3,4,5,6-pentafluorophenyl)methyl 2-(4-chloro-2-methylphenoxy)butanoate
  参考文献：
  名称：

  TSUKIOKA, TADASHI;MURAKAMI, TETSURO, J. CHROMATOGR., 469,(1989) C. 351-359

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-2-甲基苯酚 在 氢氧化钾 、 sodium ethanolate 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 (R,S)-2-(4-Chloro-2-methylphenoxy)butanoic acid
  参考文献：
  名称：

  Carboxylic acids and skeletal muscle chloride channel conductance: effects on the biological activity induced by the introduction of methyl groups on the aromatic ring of chiral α-(4-chloro-phenoxy)alkanoic acids

  摘要：

  One or two methyl groups have been introduced on the aromatic ring of two chiral clofibric acid analogs, 2-(4-chloro-phenoxy)propanoic and 2-(4-chloro-phenoxy)butanoic acids. The biological activity of the derivatives obtained (3-6) has been evaluated on the skeletal muscle chloride conductance (gCl). The results confirm the hypothesis of two different sites modulating chloride channel function, an excitatory site that increases channel activity and an inhibitory site that produces a channel block. In fact, this chemical modification strongly reduces the blocking activity of the (R)-and (S)-enantiomers in comparison with the parent compounds, but does not markedly affect the ability of the (R)-enantiomers to increase chloride channel conductance. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01041-2

文献信息

• 11-PHOSPHOROUS STEROID DERIVATIVES USEFUL AS PROGESTERONE RECEPTOR MODULATORS
  申请人：Fiordeliso J. James

  公开号：US20070232570A1

  公开（公告）日：2007-10-04

  The present invention is directed to novel 11-phosphorous steroid derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by a progesterone or glucocorticoid receptor.

  本发明涉及新颖的11-磷酸类固醇衍生物，含有它们的药物组合物以及它们在治疗受孕激素或糖皮质激素受体调节的疾病和症状中的应用。
• 17-PHOSPHOROUS STEROID DERIVATIVES USEFUL AS PROGESTERONE RECEPTOR MODULATORS
  申请人：Jiang Weiqin

  公开号：US20070207982A1

  公开（公告）日：2007-09-06

  The present invention is directed to novel 17-phosphorous steroid derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by a progesterone or glucocorticoid receptor.

  本发明涉及新颖的17-磷类固醇衍生物，含有它们的药物组合物以及它们在治疗受孕激素或糖皮质激素受体调节的疾病和症状中的用途。
• OXA-STEROIDS DERIVATIVES AS SELECTIVE PROGESTERONE RECEPTOR MODULATORS
  申请人：Kang Fu-An

  公开号：US20070197635A1

  公开（公告）日：2007-08-23

  The present invention is directed to novel 7-oxa-estra-4,9-diene-3,17-dione derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by at least one progesterone or glucocorticoid receptor.

  本发明涉及新颖的7-氧杂雌甾-4,9-二烯-3,17-二酮衍生物，含有它们的药物组合物以及它们在治疗至少受孕激素或糖皮质激素受体调节的疾病和症状中的应用。
• STEROIDS DERIVATIVES AS SELECTIVE PROGESTERONE RECEPTOR MODULATORS
  申请人：Jain Nareshkumar F.

  公开号：US20080221202A1

  公开（公告）日：2008-09-11

  The present invention is directed to novel steroid derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by at least one progesterone or glucocorticoid receptor.

  本发明涉及新型类固醇衍生物，含有它们的药物组合物以及它们在治疗至少一个孕激素或糖皮质激素受体调节的疾病和症状中的应用。
• [EN] PROCESS FOR PREPARATION OF HERBICIDAL SALTS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE SELS HERBICIDES
  申请人：NUFARM AUSTRALIA LTD

  公开号：WO2011143690A1

  公开（公告）日：2011-11-24

  A process for the preparation of solid amine salts of aromatic substituted carboxylic acid herbicides by reaction of the aromatic substituted carboxylic acid herbicide with an amine comprising reacting the aromatic substituted carboxylic acid herbicide in an ether solvent with an amine to form the amine salt and collecting the amine salt of the aromatic substituted carboxylic acid herbicide as a precipitate from the ether solvent reaction mixture wherein the ether is a dialiphatic ether comprising at least one primary aliphatic group.

  一种制备芳基取代羧酸除草剂的固体胺盐的方法，包括将芳基取代羧酸除草剂与胺反应以形成胺盐。该方法在醚溶剂中反应芳基取代羧酸除草剂和胺，形成胺盐，并从醚溶剂反应混合物中收集芳基取代羧酸除草剂的胺盐沉淀物，其中醚是一种双脂肪醚，包括至少一个主要脂肪基。