Ethyl 2,2,3-trifluoro-3-phenylpropanoate | 1253930-90-3

• 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: Ethyl 2,2,3-trifluoro-3-phenylpropanoate
• CAS: 1253930-90-3
• 化学式: C₁₁H₁₁F₃O₂
• 分子量: 232.202
• InChiKey: KSIAFXDBYWOJOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 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：
  5

反应信息

• 作为产物：
  描述：

  ethyl 3-(4-chlorophenylthio)-2,2-difluoro-3-phenylpropanoate 在 IF₅-5CH₂Cl₂ 作用下， 以 二氯甲烷 为溶剂， 反应 45.0h， 以60%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

• NEW BICYCLIC DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150353559A1

  公开（公告）日：2015-12-10

  The invention provides novel compounds having the general formula (I) wherein R 1 , Y, A, W, R 2 , m, n, p and q are as described herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有一般式(I)的新化合物，其中R1、Y、A、W、R2、m、n、p和q如此处所述，包括该化合物的组合物以及使用该化合物的方法。
• Bicyclic derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US10669268B2

  公开（公告）日：2020-06-02

  The invention provides novel compounds having the general formula (I) wherein R1, Y, A, W, R2, m, n, p and q are as described herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有通式 (I) 的新型化合物 其中 R1、Y、A、W、R2、m、n、p 和 q 如本文所述。
• 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.