3-(1-hydroxy-1,2,3-pentahydro-tridecafluorononyl)thiophene | 146407-13-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 3-(1-hydroxy-1,2,3-pentahydro-tridecafluorononyl)thiophene
• 英文别名: 1-(3-Thienyl)-1H,2H,2H,3H,3H-tridecafluoronon-1-ol；4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-thiophen-3-ylnonan-1-ol
• CAS: 146407-13-8
• 化学式: C₁₃H₉F₁₃OS
• 分子量: 460.259
• InChiKey: BWNLHPVXBKQDJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  3-(1-hydroxy-1,2,3-pentahydro-tridecafluorononyl)thiophene 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以95%的产率得到3-(1-chloro-1,2,3-pentahydro-tridecafluorononyl)thiophene
  参考文献：
  名称：

  Synthesis of 3-(polyfluoroalkyl) thiophenes

  摘要：

  Synthese of new thiophenes having various perfluorinated alkyl groups attached via alkyl spacers to the 3-position are described. These compounds are potential monomers for the electrosynthesis of new organic conductors.

  DOI：

  10.1016/s0022-1139(00)80326-7
• 作为产物：
  描述：

  3-噻吩甲醛 、 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl magnesium iodide 以 乙醚 为溶剂， 反应 17.0h， 以55%的产率得到3-(1-hydroxy-1,2,3-pentahydro-tridecafluorononyl)thiophene
  参考文献：
  名称：

  Synthesis of 3-(polyfluoroalkyl) thiophenes

  摘要：

  Synthese of new thiophenes having various perfluorinated alkyl groups attached via alkyl spacers to the 3-position are described. These compounds are potential monomers for the electrosynthesis of new organic conductors.

  DOI：

  10.1016/s0022-1139(00)80326-7

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.
• BUCHNER, WERNER;LEMAIRE, MARC;RONCAL, JEAN;GARREAU, ROBERT;GARNIER, FRANC+
  作者：BUCHNER, WERNER、LEMAIRE, MARC、RONCAL, JEAN、GARREAU, ROBERT、GARNIER, FRANC+

  DOI：——

  日期：——