ketoprofen 2,2,2-trifluoroethyl ester

• 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: ketoprofen 2,2,2-trifluoroethyl ester
• 英文别名: 2,2,2-Trifluoroethyl 2-(3-benzoylphenyl)propanoate
• 化学式: C₁₈H₁₅F₃O₃
• 分子量: 336.311
• InChiKey: BHNVTNWEXAMEAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ketoprofen 2,2,2-trifluoroethyl ester 在 sodium hydroxide 、 Pseudomonas fluorescens MTCCB₀₀₁₅ cell-free extract 作用下， 以 phosphate buffer 为溶剂， 反应 20.0h， 以40%的产率得到右旋酮洛芬
  参考文献：
  名称：

  A new biocatalyst for the preparation of enantiomerically pure 2-arylpropanoic acids

  摘要：

  A new biocatalyst. a strain of Pseudomonas fluorescens MTCCB0015. is described. which produces ibuprofen. ketoprofen and flurbiprofen as enantiomerically pure (S)-2-arylpropanoic acids from their corresponding racemic esters. 2-Arylpropanoic acids are an important class of non-steroidal anti-inflammatory, compound,. whose anti-inflammatory activity is mainly due to the (S)-enantiomer. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00249-x

文献信息

• A new biocatalyst for the preparation of enantiomerically pure 2-arylpropanoic acids
  作者：Ish Kumar、Kavita Manju、Ravinder S. Jolly

  DOI：10.1016/s0957-4166(01)00249-x

  日期：2001.6

  A new biocatalyst. a strain of Pseudomonas fluorescens MTCCB0015. is described. which produces ibuprofen. ketoprofen and flurbiprofen as enantiomerically pure (S)-2-arylpropanoic acids from their corresponding racemic esters. 2-Arylpropanoic acids are an important class of non-steroidal anti-inflammatory, compound,. whose anti-inflammatory activity is mainly due to the (S)-enantiomer. (C) 2001 Elsevier Science Ltd. All rights reserved.