methyl α-(4-hydroxy-3,5-dimethylphenyl)-α-hydroxy-β,β,β-trifluoropropionate | 123557-95-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: methyl α-(4-hydroxy-3,5-dimethylphenyl)-α-hydroxy-β,β,β-trifluoropropionate
• 英文别名: 4-(2-hydroxy-2-carbomethoxytrifluoroethyl)-2,6-dimethylphenol；Methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)propanoate
• CAS: 123557-95-9
• 化学式: C₁₂H₁₃F₃O₄
• 分子量: 278.228
• InChiKey: APAZXFNEEOKAKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl α-(4-hydroxy-3,5-dimethylphenyl)-α-hydroxy-β,β,β-trifluoropropionate 在 氯化亚砜 作用下， 以 吡啶 为溶剂， 反应 0.83h， 以90%的产率得到2,6-dimethyl-α-methoxycarbonyl-α-trifluoromethyl-p-methylenequinone
  参考文献：
  名称：

  Synthesis of ?-(4-hydroxyphenyl)-?,?,?-trifluoro-?-alanine derivatives

  摘要：

  2,6-Dimethyl- and 2,6-dimethoxy-alpha-methoxycarbonyl-alpha-trifluoromethyl-p-methylenequinones have been synthesized. These compounds easily react with ammonia, morpholine, and p-toluidine to afford the corresponding alpha-(4-hydroxyphenyl)-beta,beta,beta-trifluoro-alpha-alanine derivatives.

  DOI：

  10.1007/bf00697145
• 作为产物：
  描述：

  三氟丙酮酸甲酯 、 sodium 2,6-dimethylphenolate 以 1,1,2-三氯三氟乙烷（CFC-113） 为溶剂， 反应 1.0h， 以100%的产率得到methyl α-(4-hydroxy-3,5-dimethylphenyl)-α-hydroxy-β,β,β-trifluoropropionate
  参考文献：
  名称：

  Steric effects of ortho substituents in reactions of phenols and phenolates with polyfluoroketones

  摘要：

  DOI：

  10.1007/bf00953301

文献信息

• DYACHENKO, V. I.;GALAXOV, M. V.;KOLOMIETS, A. F.;FOKIN, A. V., IZV. AN CCCP. CEP. XIM.,(1989) N, S. 923-928
  作者：DYACHENKO, V. I.、GALAXOV, M. V.、KOLOMIETS, A. F.、FOKIN, A. V.

  DOI：——

  日期：——
• MODULATION OF ADIPOSE TRIGLYCERIDE LIPASE FOR PREVENTION AND TREATMENT OF CACHEXIA, LOSS OF WEIGHT AND MUSCLE ATROPHY AND METHODS OF SCREENING THEREFOR
  申请人：Zimmerman Robert

  公开号：US20120230943A1

  公开（公告）日：2012-09-13

  The present invention relates to agents, and methods for identifying compounds, which agents and compounds are effective in the treatment, and more particularly, that inhibit cachexia, and its associated or related disorders and conditions. In addition, the invention relates to compositions and methods for the use thereof in treating conditions that are characterized by cachexia, and its associated or related disorders and conditions and/or cachexia, and its associated or related disorders and conditions, such as for example, cancer cachexia and cachexia associated with AIDS, autoimmune disorders, drug addiction, alcoholism, chronic inflammatory disorders, cirrhosis of the liver, anorexia and neurodegenerative disease. In particular, the diagnostic marker and drug target of the invention is the ATGL Lipase, which can be inhibited by e.g. siRNAs and compounds with any of the following structures (I).
• US8993509B2
  申请人：——

  公开号：US8993509B2

  公开（公告）日：2015-03-31
• Steric effects of ortho substituents in reactions of phenols and phenolates with polyfluoroketones
  作者：V. I. Dyachenko、M. V. Galakhov、A. F. Kolomiets、A. V. Fokin

  DOI：10.1007/bf00953301

  日期：1989.4
• Synthesis of ?-(4-hydroxyphenyl)-?,?,?-trifluoro-?-alanine derivatives
  作者：V. I. Dyachenko、A. F. Kolomiets、A. V. Fokin

  DOI：10.1007/bf00697145

  日期：1994.9

  2,6-Dimethyl- and 2,6-dimethoxy-alpha-methoxycarbonyl-alpha-trifluoromethyl-p-methylenequinones have been synthesized. These compounds easily react with ammonia, morpholine, and p-toluidine to afford the corresponding alpha-(4-hydroxyphenyl)-beta,beta,beta-trifluoro-alpha-alanine derivatives.