decarboxy-<2H2>-suprofen

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: decarboxy-<2H2>-suprofen
• 英文别名: [4-(1-Deuterioethyl)phenyl]-(5-deuteriothiophen-2-yl)methanone
• 化学式: C₁₃H₁₂OS
• 分子量: 218.288
• InChiKey: GODQIIKZEJTEPS-HMIJKAACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  <2H2>-suprofen 在 sodium hydroxide 作用下， 反应 3.0h， 生成 decarboxy-<2H2>-suprofen
  参考文献：
  名称：

  A general procedure for isotopic (deuterium) labelling of non-steroidal antiinflammatory 2-arylpropionic acids

  摘要：

  Alkaline treatment of nonsteroidal antiinflammatory 2-arylpropionic acids in deuterium oxide led in all cases to isotopic exchange of the proton located at the α-position of the side chain. Monodeuteration was observed in the case of carprofen, ibuprofen, ketoprofen, fenoprofen, flurbiprofen and naproxen. Additional exchange of one or two protons of the heterocyclic ring occurred in indoprofen, suprofen and tiaprofenic acid. The isotopic labelling survived under the conditions required to perform in vitro photoallergic studies (photolysis in non-deuterated aqueous media).

  DOI：

  10.1002/jlcr.2580340113

文献信息

• A general procedure for isotopic (deuterium) labelling of non-steroidal antiinflammatory 2-arylpropionic acids
  作者：José V. Castell、Luis A. Martínez、Miguel A. Miranda、Pilar Tárrega

  DOI：10.1002/jlcr.2580340113

  日期：1994.1

  Alkaline treatment of nonsteroidal antiinflammatory 2-arylpropionic acids in deuterium oxide led in all cases to isotopic exchange of the proton located at the α-position of the side chain. Monodeuteration was observed in the case of carprofen, ibuprofen, ketoprofen, fenoprofen, flurbiprofen and naproxen. Additional exchange of one or two protons of the heterocyclic ring occurred in indoprofen, suprofen and tiaprofenic acid. The isotopic labelling survived under the conditions required to perform in vitro photoallergic studies (photolysis in non-deuterated aqueous media).