Ethyl 3-cyano-4,4,4-trifluorobut-2-enoate

• 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-cyano-4,4,4-trifluorobut-2-enoate
• 英文别名: ethyl 3-cyano-4,4,4-trifluorobut-2-enoate
• 化学式: C₇H₆F₃NO₂
• 分子量: 193.12
• InChiKey: YFTNILABSPAIQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [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.