Ethyl 3-chloro-4,4,4-trifluorobut-2-enoate | 136000-19-6

• 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 3-chloro-4,4,4-trifluorobut-2-enoate
• 英文别名: ethyl (Z)-3-chloro-4,4,4-trifluorobut-2-enoate
• CAS: 136000-19-6
• 化学式: C₆H₆ClF₃O₂
• 分子量: 202.561
• InChiKey: CJLDUCGLKBVTIB-ARJAWSKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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-chloro-2-formyl-4,4,4-trifluorobut-2-enoate 在 氢氧化钾 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl (E)-3-chloro-4,4,4-trifluorobut-2-enoate 、 Ethyl 3-chloro-4,4,4-trifluorobut-2-enoate
  参考文献：
  名称：

  Synthesis of trifluoromethylalkenes and alkynes. Trifluoromethyl captodative olefins

  摘要：

  beta-ethylthio-beta-trifluoromethylketones 3 and aldehydes 4 are easily prepared from beta-chloroolefines 5 and 6. Trifluoromethylalkynes 7 and captodative alkenes 8 are obtained by reaction of KOH on aldehydes 6 or 4.

  DOI：

  10.1016/0040-4039(91)80692-y

文献信息

• US9273005B2
  申请人：——

  公开号：US9273005B2

  公开（公告）日：2016-03-01
• [EN] HALOGENATED- alpha , beta -UNSATURATED- beta -(SUBSTITUTED-AMINO) CARBOXYLATE ESTERS<br/>[FR] ESTERS - alpha , beta CARBOXYLIQUES HALOGENES AMINO SUBSTITUES, A INSATURATION- beta
  申请人：HONEYWELL INT INC

  公开号：WO2002053518A2

  公开（公告）日：2002-07-11

  A process for preparing a halogenated aliphatic-α,β-unsaturated-β-nucleophile-functionalized carboxylate ester having the formula: R1-C(-Nu)=CH-COOR8 by reacting a nucleophile with a halogenated aliphatic-α,β-unsaturated-β halocarboxylate ester having the formula: R1-CX1=CH-COOR8, wherein R1 is selected from the group consisting of straight chain and branched halogenated C¿1?-C12 aliphatic groups; Nu is a nucleophile moiety different from X?1; X1¿ is F, Cl or Br; and R8 is selected from the group consisting of straight chain and branched C¿1?-C6 alkyl groups. Halogenated aliphatic-α,β-unsaturated-β-nucleophile-functionalized carboxylate esters, halogenated aliphatic-α,β-unsaturated-β-halocarboxylate esters, and intermediate compounds and processes in the preparation thereof are also disclosed.
• Synthesis of trifluoromethylalkenes and alkynes. Trifluoromethyl captodative olefins
  作者：André J. Laurent、Isabelle M. Le drean、Abdelaziz Selmi

  DOI：10.1016/0040-4039(91)80692-y

  日期：1991.6

  beta-ethylthio-beta-trifluoromethylketones 3 and aldehydes 4 are easily prepared from beta-chloroolefines 5 and 6. Trifluoromethylalkynes 7 and captodative alkenes 8 are obtained by reaction of KOH on aldehydes 6 or 4.