2-trifluromethyl-3,4-pentadienoic acid | 139547-10-7

• 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: 2-trifluromethyl-3,4-pentadienoic acid
• 英文别名: 2-trifluoromethyl-3,4-pentadienoic acid
• CAS: 139547-10-7
• 化学式: C₆H₅F₃O₂
• 分子量: 166.1
• InChiKey: AVZSGTBGMGMMHD-UHFFFAOYSA-N

物化性质

• 沸点：
  195.0±35.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-trifluromethyl-3,4-pentadienoic acid 在 三乙胺 、 mercury(II) oxide 作用下， 反应 2.0h， 生成 2-trifluoromethyl levulinic acid methyl ester
  参考文献：
  名称：

  Synthesis and properties of 2-trifluoromethyl-substituted 4-pentenoic and 3,4-pentadienoic acids and their esters

  摘要：

  The hydrolysis of the acid fluorides of 2-fluorocarbonyl(methoxycarbonyl)-2-trifluoromethyl-4-pentenoic acids (I) and (II), and of 2-fluorocarbonyl-(methoxycarbonyl)-2-trifluoromethyl-3,4-pentadienoic acids (III) and (IV) gave, under mild conditions, 2-trifluoromethyl-4-pentenoic acid (V) and 2-trifluoromethyl-3,4-pentadienoic acid (VII) or their methyl esters (VI) and (VIII). The reactivity of these compounds was studied.

  DOI：

  10.1007/bf00959719
• 作为产物：
  描述：

  2-Fluorocarbonyl-2-trifluoromethyl-3,4-pentadienoyl Fluoride 在 potassium carbonate 作用下， 以 水 为溶剂， 反应 1.5h， 以80%的产率得到2-trifluromethyl-3,4-pentadienoic acid
  参考文献：
  名称：

  Synthesis and properties of 2-trifluoromethyl-substituted 4-pentenoic and 3,4-pentadienoic acids and their esters

  摘要：

  The hydrolysis of the acid fluorides of 2-fluorocarbonyl(methoxycarbonyl)-2-trifluoromethyl-4-pentenoic acids (I) and (II), and of 2-fluorocarbonyl-(methoxycarbonyl)-2-trifluoromethyl-3,4-pentadienoic acids (III) and (IV) gave, under mild conditions, 2-trifluoromethyl-4-pentenoic acid (V) and 2-trifluoromethyl-3,4-pentadienoic acid (VII) or their methyl esters (VI) and (VIII). The reactivity of these compounds was studied.

  DOI：

  10.1007/bf00959719

文献信息

• [3,3]-Sigmatropic rearrangement of allyl (or propargyl) fluorovinyl ethers. Synthesis of α-trifluoromethyl unsaturated acids and derivatives
  作者：Frédérique Tellier、Max Audouin、Raymond Sauvêtre

  DOI：10.1016/s0040-4039(01)00250-7

  日期：2001.4

  A one pot synthesis of α-trifluoromethyl unsaturated acids and derivatives via a [3,3]-sigmatropic rearrangement of allyl (or propargyl) fluorovinyl ethers is described.

  描述了通过烯丙基（或炔丙基）氟乙烯基醚的[3,3]-σ重排的α-三氟甲基不饱和酸及其衍生物的一锅合成。
• Synthesis of α-trifluoromethyl unsaturated acids and derivatives
  作者：Frédérique Tellier、Max Audouin、Raymond Sauvêtre

  DOI：10.1016/s0022-1139(01)00542-5

  日期：2002.2

  A one pot synthesis of alpha-trifluoromethyl unsaturated acids via a [3,3]-sigmatropic rearrangement of allyl (or propargyl) fluorovinyl ethers is described. By proto- and iodolactonization. these acids lead to the corresponding trifluoromethylated lactones. (C) 2002 Elsevier Science B.V.. All rights reserved.