2-(4-氯-3,5-二甲基苯氧基)丙酸 | 14234-20-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-氯-3,5-二甲基苯氧基)丙酸
• 英文名称: (+/-)-α-(4-Chlor-3,5-dimethyl-phenoxy)-propionsaeure
• 英文别名: 2-(4-chloro-3,5-dimethyl-phenoxy)-propionic acid；O-(4-Chlor-3.5-dimethyl-phenyl)-DL-milchsaeure；2-(4-Chlor-3,5-dimethyl-phenoxy)-propionsaeure；2-(4-Chloro-3,5-dimethylphenoxy)propanoic acid
• CAS: 14234-20-9
• 化学式: C₁₁H₁₃ClO₃
• mdl: MFCD03422231
• 分子量: 228.675
• InChiKey: OGSDXLUKTYSYNE-UHFFFAOYSA-N

物化性质

• 熔点：
  137-138 °C
• 沸点：
  358.0±37.0 °C(Predicted)
• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  3
• 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

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2-(4-氯-3,5-二甲基苯氧基)丙酸 在 PPA 作用下， 反应 2.0h， 以59%的产率得到5-Chloro-2,4,6-trimethyl-1-benzofuran-3-one
  参考文献：
  名称：

  A short synthesis of 2,3,4-trihydrodibenzofuranes

  摘要：

  Treatment of 2-phenoxypropionic acid with polyphosphoric acid gave substituted benzofuran-3-ones (2a-h), which were converted into 2,3,4-trihydrodibenzofuran-3-ones (4a-h) via the compounds 3a-h. Clemmensen reduction of the compounds 4a-h gave the 2,3,4-trihydrodibenzofuranes(5a-h).

  DOI：

  10.1007/bf00812712
• 作为产物：
  描述：

  2-溴丙酸乙酯 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2-(4-氯-3,5-二甲基苯氧基)丙酸
  参考文献：
  名称：

  Synerholm; Zimmerman, Contributions from Boyce Thompson Institute, 1945, vol. 14, p. 91,95, 96

  摘要：

  DOI：

文献信息

• Derivatives of 6-Aminopenicillanic Acid. I. Partially Synthetic Penicillins Prepared from α-Aryloxyalkanoic Acids
  作者：Y. G. Perron、W. F. Minor、C. T. Holdrege、W. J. Gottstein、J. C. Godfrey、L. B. Crast、R. B. Babel、L. C. Cheney

  DOI：10.1021/ja01500a036

  日期：1960.8
• Deshmukh M., Kharade D., Shirke S. D., Monatsh. Chem., 125 (1994) N 8-9, S 971-976
  作者：Deshmukh M., Kharade D., Shirke S. D.

  DOI：——

  日期：——
• [EN] N-BENZYLINDOLE MODULATORS OF PPARG<br/>[FR] MODULATEURS N-BENZYLINDOLE DU PPARG
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2012170561A1

  公开（公告）日：2012-12-13

  The invention provides molecular entities that bind with high affinity to PPARG (PPARγ), and inhibit kinase-mediated (e.g., cdk5-mediated) phosphorylation of PPARG, but do not exert an agonistic effect on PPARG. Compounds of the invention can be used for treatment of conditions in patients wherein PPARG plays a role, such as diabetes, insulin resistance, impaired glucose tolerance, pre-diabetes, hyperglycemia, hyperinsulinemia, obesity, or inflammation. Side effects of significant weight gain, edema, impairment of bone growth or formation, or cardiac hypertrophy, or any combination thereof, can be avoided in the mammal receiving the compound. Methods of preparation of the compounds, bioassay methods for evaluating compounds of the invention as non-agonistic PPARG binding compounds, and pharmaceutical compositions are also provided.
• Synerholm; Zimmerman, Contributions from Boyce Thompson Institute, 1945, vol. 14, p. 91,95, 96
  作者：Synerholm、Zimmerman

  DOI：——

  日期：——
• A short synthesis of 2,3,4-trihydrodibenzofuranes
  作者：M. Deshmukh、D. Kharade、S. D. Shirke

  DOI：10.1007/bf00812712

  日期：——

  Treatment of 2-phenoxypropionic acid with polyphosphoric acid gave substituted benzofuran-3-ones (2a-h), which were converted into 2,3,4-trihydrodibenzofuran-3-ones (4a-h) via the compounds 3a-h. Clemmensen reduction of the compounds 4a-h gave the 2,3,4-trihydrodibenzofuranes(5a-h).