[1-11C]-2-octynoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [1-11C]-2-octynoic acid
• 英文别名: (111C)oct-2-ynoic acid
• 化学式: C₈H₁₂O₂
• 分子量: 139.171
• InChiKey: BQDKCWCMDBMLEH-COJKEBBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-庚炔 、 [11C]二氧化碳 在 乙基溴化镁 作用下， 生成 [1-11C]-2-octynoic acid
  参考文献：
  名称：

  Synthesis of [1-11C]-2-octynoic acid, [1-11C]-2-decynoic acid and [1-11C]-3-(R,S)-methylocatanoic acid as potential markers for PET studies of fatty acid metabolism

  摘要：

  [1-C-11]-2-Octynoic acid, [1-C-11]-2-decynoic acid and [1-C-11]-3-(R,S)-methyloctanoic acid have been synthesized in order to evaluate these compounds as PET (Positron Emission Tomography) tracers for imaging in vivo medium-chain acyl-CoA dehydrogenase and medium-chain fatty acid utilization. The synthesis was performed by the Grignard reaction between alkylmagnesium bromides and [C-11]CO2. The radiochemical yields of [1-C-11]-2-octynoic acid, [1-C-11]-2-decynoic acid, and [1-C-11]-3-(R,S)-methyloctanoic acid were 10, 7 and 1% based on the [C-11]CO2 used respectively. Radiochemical purity was >99% in all cases.

  DOI：

  10.1002/(sici)1099-1344(199703)39:3<181::aid-jlcr962>3.0.co;2-w