α,α,β,β-Tetrafluor-hydrozimtsaeure-ethylester | 14160-54-4

• 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: α,α,β,β-Tetrafluor-hydrozimtsaeure-ethylester
• 英文别名: ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate
• CAS: 14160-54-4
• 化学式: C₁₁H₁₀F₄O₂
• 分子量: 250.193
• InChiKey: CGZJJVPVIBKJNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  α,α,β,β-Tetrafluor-hydrozimtsaeure-ethylester 在 氨 作用下， 以 乙醚 为溶剂， 生成 α,α,β,β-Tetrafluor-hydrozimtsaeure-amid
  参考文献：
  名称：

  ?-Phenylperfluoro-?-olefins and?-phenylper-fluoroalkanoic acids

  摘要：

  DOI：

  10.1007/bf00907100
• 作为产物：
  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

文献信息

• Synthesis of new α,α,β,β-tetrafluoroesters
  作者：Zhen-Yu Yang

  DOI：10.1016/j.jfluchem.2004.01.001

  日期：2004.5

  Substituted phenyl iodides or diiodides reacted with ethyl iodotetrafluoroproponylate ICF2CF2CO2Et,1 in the presence of copper powder to give the coupled products 2 or 3 in good yields. Addition of 1 to ethylene and allyl acetate proceeded smoothly under thermal and radical conditions to give the corresponding adducts, which underwent elimination reaction to give beta-vinyl and beta-allyl alpha,alpha,beta,beta-tetrafluoroesters, CH2=CHCF2CF2CO2Et, 4 and CH2=CHCH2CF2CF2CO2Et, 5, respectively. 1 also readily reacted with 1,5-hexadiene and 1-hexene with copper or palladium complex, followed by reduction to remove iodine to produce omega-alkenyl-alpha,alpha,beta,beta-tetrafluoroester CH2=CH(CH2)(4)CF2CF2CO2Et 6 and alpha,alpha,beta,beta-tetrafluoroester C4H9CH2CHICF2CF2CO2Et. (C) 2004 Elsevier B.V. All rights reserved.
• 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.
• ?-Phenylperfluoro-?-olefins and?-phenylper-fluoroalkanoic acids
  作者：I. L. Knunyants、V. V. Shokina

  DOI：10.1007/bf00907100

  日期：1967.1