1-(2-fluoro-6-((trifluoromethyl)thio)phenyl)ethanone | 1620284-95-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-fluoro-6-((trifluoromethyl)thio)phenyl)ethanone
• 英文别名: 2'-Fluoro-6'-(trifluoromethylthio)acetophenone；1-[2-fluoro-6-(trifluoromethylsulfanyl)phenyl]ethanone
• CAS: 1620284-95-8
• 化学式: C₉H₆F₄OS
• 分子量: 238.206
• InChiKey: FBQVPYQXDAKYDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  1-(2-iodo-6-fluorophenyl)ethanone 、 (三氟甲硫基)银(I) 在 1,10-菲罗啉 、 copper(I) bromide 作用下， 以 乙腈 为溶剂， 以92%的产率得到1-(2-fluoro-6-((trifluoromethyl)thio)phenyl)ethanone
  参考文献：
  名称：

  Copper-Catalyzed Trifluoromethylthiolation of Aryl Halides with Diverse Directing Groups

  摘要：

  The expansion of cross-coupling components in Cu-catalyzed C-X bond forming reactions have received much attention recently. A novel Cu-catalyzed trifluoromethylthiolation of aryl bromides and iodides with the assistance of versatile directing groups such as pyridyl, methyl ester, amide, imine and oxime was reported. CuBr was used as the catalyst, and 1,10-phenanthroline as the ligand. By changing the solvent from acetonitrile to DMF, the coupling process could even take place at room temperature.

  DOI：

  10.1021/ol501742a