thiophene-2-sulfonyl 18F-fluoride | 1482379-94-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: thiophene-2-sulfonyl 18F-fluoride
• 英文别名: thiophene-2-(18F)sulfonyl fluoride
• CAS: 1482379-94-1
• 化学式: C₄H₃FO₂S₂
• 分子量: 165.199
• InChiKey: NYJIUCJXMLNPHU-SFIIULIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-噻吩磺酰氯 在 Kryptofix 2.2.2 、 potassium carbonate 、 氢氟酸 作用下， 以 水 、 乙腈 为溶剂， 生成 thiophene-2-sulfonyl 18F-fluoride
  参考文献：
  名称：

  Ascertaining the Suitability of Aryl Sulfonyl Fluorides for [¹⁸F]Radiochemistry Applications: A Systematic Investigation using Microfluidics

  摘要：

  Optimization of [F-18]radiolabeling conditions and subsequent stability analysis in mobile phase, PBS buffer, and rat serum of 12 aryl sulfonyl chloride precursors with various substituents (electron-withdrawing groups, electron-donating groups, increased steric bulk, heterocyclic) were performed using an Advion NanoTek Microfluidic Synthesis System. A comparison of radiochemical yields and reaction times for a microfluidics device versus a conventional reaction vessel is reported. [F-18]Radiolabeling of sulfonyl chlorides in the presence of competing nucleophiles, H-bond donors, and water was also assessed and demonstrated the versatility and potential utility of [F-18]sulfonyl fluorides as synthons for indirect radiolabeling.

  DOI：

  10.1021/jo401759z