(S)-trifluoromethylphenylacetic acid | 13490-73-8

• 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: (S)-trifluoromethylphenylacetic acid
• 英文别名: (S)-(+)-α-Trifluormethyl-phenylessigsaeure；[S,(+)]-beta,beta,beta-Trifluorohydratropic acid；(2S)-3,3,3-trifluoro-2-phenylpropanoic acid
• CAS: 13490-73-8
• 化学式: C₉H₇F₃O₂
• 分子量: 204.149
• InChiKey: HQRSIMQXCAWAJB-ZETCQYMHSA-N

物化性质

• 沸点：
  239.1±40.0 °C(Predicted)
• 密度：
  1.356±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-trifluoromethylphenylacetic acid 、 甲胺 生成 (S)-(+)-N-Methyl-α-trifluormethyl-phenylacetamid
  参考文献：
  名称：

  Resolution and configuration of .alpha.-substituted phenylacetic acids

  摘要：

  DOI：

  10.1021/jo01284a035
• 作为产物：
  描述：

  2,2,2-三氟苯乙酮 生成 (S)-trifluoromethylphenylacetic acid
  参考文献：
  名称：

  Resolution and configuration of .alpha.-substituted phenylacetic acids

  摘要：

  DOI：

  10.1021/jo01284a035

文献信息

• Optical rotatory dispersion studies. CXVII. Absolute configurational assignments of some .alpha.-substituted phenylacetic acids by circular dichroism measurements
  作者：Guenter Barth、Wolfgang Voelter、Harry S. Mosher、Edward Bunnenberg、Carl Djerassi

  DOI：10.1021/ja00707a024

  日期：1970.2
• Stereocontrolled and enantioselective synthesis of the branched 6-amino-4,6-deoxyheptopyranuronic acid component of amipurimycin
  作者：Philip Garner、Ji Uk Yoo、Ramakanth Sarabu、Vance O Kennedy、Wiley J Youngs

  DOI：10.1016/s0040-4020(98)00585-7

  日期：1998.8

  A stereocontrolled and enantioselective synthesis of the branched 6-amino-4,6-deoxyheptopyranuronic acid component of amipurimycin is reported. Key stages in the synthesis include the stereodivergent assembly of rile dihydropyrones 12 and 14 from serinal derivatives (S)-10 and (R)-10, elaboration of the tetrahydropyran ring to give 26 and 31, and finally, introduction of the cis-2-aminocyclopentanecarboxylic acid moiety to produce the diastereomeric peptides 28/29 and 32/33. (C) 1998 Elsevier Science Ltd. All rights reserved.
• PYRAZOLES AS GLUCOKINASE ACTIVATORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2046755A2

  公开（公告）日：2009-04-15
• COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM
  申请人：MEDIVATION TECHNOLOGIES LLC

  公开号：US20210094930A1

  公开（公告）日：2021-04-01

  Described herein are coformer salts of (2S,3S)-methyl 7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate optionally as a solvate and additionally optionally as a hydrate, including crystalline forms, and methods of preparing the (2S,3S)-methyl 7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-teirahydroquinoline-5-carboxylate optionally as a coformer salts.
• [EN] PYRAZOLES AS GLUCOKINASE ACTIVATORS<br/>[FR] PYRAZOLES COMME ACTIVATEURS DE GLUCOKINASE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2008012227A2

  公开（公告）日：2008-01-31

  (EN) Disclosed herein are pyrazole glucokinase activators of the formula (I) wherein R1 to R4 are as defined in the specification and claims, useful for the treatment of metabolic diseases and disorders, preferably diabetes mellitus.(FR) L'invention concerne des activateurs de glucokinase de type pyrazole de la formule (I), dans laquelle R1 à R4 sont tels que définis dans la description et les revendications, utiles pour le traitement de maladies métaboliques et de troubles, de préférence le diabète.