3,3',6,6'-tetrafluoro-2,2',4,4',5,5'-hexakis(phenylthio)biphenyl | 1514929-34-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3',6,6'-tetrafluoro-2,2',4,4',5,5'-hexakis(phenylthio)biphenyl
• 英文别名: 1-[2,5-Difluoro-3,4,6-tris(phenylsulfanyl)phenyl]-2,5-difluoro-3,4,6-tris(phenylsulfanyl)benzene；1-[2,5-difluoro-3,4,6-tris(phenylsulfanyl)phenyl]-2,5-difluoro-3,4,6-tris(phenylsulfanyl)benzene
• CAS: 1514929-34-0
• 化学式: C₄₈H₃₀F₄S₆
• 分子量: 875.156
• InChiKey: ONKQMMRRWQYPIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  58
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  苯基硫三甲基硅烷 、 十氟联苯 在 potassium fluoride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 6.0h， 生成 3,3',6,6'-tetrafluoro-2,2',4,4',5,5'-hexakis(phenylthio)biphenyl
  参考文献：
  名称：

  The stepped reaction of decafluorobiphenyl with thiophenol studied by in situ 19F NMR spectroscopy

  摘要：

  Kinetic studies on the reaction of decafluorobiphenyl and di- and tetra(phenylthio)-substituted perfluorobiphenyl with thiophenol in the presence of triethylamine were performed by in situ F-19 NMR spectroscopy to determine rate constants. In well-defined consecutive reactions, the even-numbered phenylthio derivatives are main products whereas the odd-numbered derivatives are much more reactive and were observed only in low concentrations. Very pronounced differences in rate constants and reactivity were obtained. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2013.07.013