ethyl 3-(4-chlorophenylthio)-2,2-difluoro-3-phenylpropanoate | 1253930-82-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: ethyl 3-(4-chlorophenylthio)-2,2-difluoro-3-phenylpropanoate
• 英文别名: Ethyl 3-(4-chlorophenyl)sulfanyl-2,2-difluoro-3-phenylpropanoate
• CAS: 1253930-82-3
• 化学式: C₁₇H₁₅ClF₂O₂S
• 分子量: 356.821
• InChiKey: HPVGELJSVSRLQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-(4-chlorophenylthio)-2,2-difluoro-3-phenylpropanoate 在 IF5/Et3N-3HF 、 IF₅-5CH₂Cl₂ 作用下， 以 二氯甲烷 为溶剂， 反应 64.0h， 以92%的产率得到α,α,β,β-Tetrafluor-hydrozimtsaeure-ethylester
  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
• 作为产物：
  描述：

  ethyl 3-((4-chlorophenyl)thio)-2,2,3-trifluoropropanate 、 苯 在 四氯化锡 作用下， 反应 15.0h， 以92%的产率得到ethyl 3-(4-chlorophenylthio)-2,2-difluoro-3-phenylpropanoate
  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.