3-Thenylheptafluorobutyrate | 879479-80-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: 3-Thenylheptafluorobutyrate
• 英文别名: (Thiophen-3-yl)methyl heptafluorobutanoate；thiophen-3-ylmethyl 2,2,3,3,4,4,4-heptafluorobutanoate
• CAS: 879479-80-8
• 化学式: C₉H₅F₇O₂S
• 分子量: 310.192
• InChiKey: DMOQWLBAZSQSAH-UHFFFAOYSA-N

物化性质

• 沸点：
  220.0±35.0 °C(Predicted)
• 密度：
  1.527±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3-噻吩甲醇 、 七氟丁酰氯 在 sodium 作用下， 以 四氢呋喃 为溶剂， 以58%的产率得到3-Thenylheptafluorobutyrate
  参考文献：
  名称：

  Synthesis and characterization of thiophenes with fluorinated substituents

  摘要：

  The synthesis of several 3-(polyfluoro)thiophenes, which are possible precursors to conductive polythiophenes, is described. This report includes an improved synthesis of 3-trifluoromethylthiophene and the previously reported but uncharacterized 3-fluoroformylthiophene. The new compounds 1-(3-thienyl)-1H,2H,3H,3H-nonafluorohept-1-ene, l-(3-thienyl)-1H,2H,3H,3H-tridecafluoronon-1-ene, 1-(3-thenyl)-trifluoroacetate, 1-(3-thenyl)-heptafluorobutyrate, and 1-(3-thenyl)-3-fluorosulfuryltetrafluoroethylether are reported. The last compound is unstable and decomposes to 1-fluorosulfuryl-1-fluoroformyldifluoromethane and thenyl fluoride. More extensive data for the previously prepared 1-(3-thienyl)-1H,2H,2H,3H,3H-tridecafluoronon-1-ol and 1-(3-thienyl)-1H,2H,2H,3H,3H-nonafluoroheptan-1-ol are also included. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(98)00289-9

文献信息

• Synthesis and characterization of thiophenes with fluorinated substituents
  作者：S.K. Ritter、B.K. Hill、M.A. Odian、J. Dai、R.E. Noftle、G.L. Gard

  DOI：10.1016/s0022-1139(98)00289-9

  日期：1999.1

  The synthesis of several 3-(polyfluoro)thiophenes, which are possible precursors to conductive polythiophenes, is described. This report includes an improved synthesis of 3-trifluoromethylthiophene and the previously reported but uncharacterized 3-fluoroformylthiophene. The new compounds 1-(3-thienyl)-1H,2H,3H,3H-nonafluorohept-1-ene, l-(3-thienyl)-1H,2H,3H,3H-tridecafluoronon-1-ene, 1-(3-thenyl)-trifluoroacetate, 1-(3-thenyl)-heptafluorobutyrate, and 1-(3-thenyl)-3-fluorosulfuryltetrafluoroethylether are reported. The last compound is unstable and decomposes to 1-fluorosulfuryl-1-fluoroformyldifluoromethane and thenyl fluoride. More extensive data for the previously prepared 1-(3-thienyl)-1H,2H,2H,3H,3H-tridecafluoronon-1-ol and 1-(3-thienyl)-1H,2H,2H,3H,3H-nonafluoroheptan-1-ol are also included. (C) 1999 Elsevier Science S.A. All rights reserved.