ethyl 3-(2,5-dimethylphenyl)-2,2,3-trifluoropropanoate | 1253930-91-4

• 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: ethyl 3-(2,5-dimethylphenyl)-2,2,3-trifluoropropanoate
• CAS: 1253930-91-4
• 化学式: C₁₃H₁₅F₃O₂
• 分子量: 260.256
• InChiKey: YROVUMVTNNOAOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 3-(4-chlorophenylthio)-3-(2,5-dimethylphenyl)-2,2-difluoropropanoate 在 IF₅-5CH₂Cl₂ 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以94%的产率得到ethyl 3-(2,5-dimethylphenyl)-2,2,3-trifluoropropanoate
  参考文献：
  名称：

  Polyfluorination Using IF₅

  摘要：

  The polyfluorination of alpha-(arylthio)carbonyl compounds was achieved by a successive application of polyfluorination using IF5, Friedel Crafts arylation, and desulfurizing fluorination using IF5. Three to six fluorine atoms were selectively introduced to the carbons located between the aromatic ring and the carbonyl group.

  DOI：

  10.1021/jo101672g

文献信息

• Polyfluorination Using IF₅
  作者：Tadahito Fukuhara、Shoji Hara

  DOI：10.1021/jo101672g

  日期：2010.11.5

  The polyfluorination of alpha-(arylthio)carbonyl compounds was achieved by a successive application of polyfluorination using IF5, Friedel Crafts arylation, and desulfurizing fluorination using IF5. Three to six fluorine atoms were selectively introduced to the carbons located between the aromatic ring and the carbonyl group.