2,2,3,3,4,4,5,5,6,6,6-undecafluorohexane-1-sulfonyl chloride | 849938-49-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 磺酰卤
• 英文名称: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexane-1-sulfonyl chloride
• CAS: 849938-49-4
• 化学式: C₆H₂ClF₁₁O₂S
• 分子量: 382.582
• InChiKey: FDOACTWUCUPZLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,2,3,3,4,4,5,5,6,6,6-undecafluorohexane-1-sulfonyl chloride 在 potassium hydrogen bifluoride 、 1,1,2-三氯三氟乙烷（CFC-113） 、 fluorine 、 N,N-二甲基甲酰胺 作用下， 反应 2.6h， 生成 全氟己基磺酰氟
  参考文献：
  名称：

  An entirely new methodology for synthesizing perfluorinated compounds: synthesis of perfluoroalkanesulfonyl fluorides from non-fluorinated compounds

  摘要：

  A new synthetic procedure for the preparation of perfluoroalkanesulfonyl fluorides utilizing liquid-phase direct fluorination with elemental fluorine has been developed. Direct fluorination of a partially fluorinated ester, which has alkanesulfonyl fluoride in the end, was synthesized from non-fluorinated counterparts and perfluorinated acid fluoride according to the PERFECT process, gave the desired perfluorinated product in moderate yield as well as by-products arising from C-S bond cleavage. The results of the direct fluorination of some model substrates suggest that the C-S bond cleavage occurred due to radical formation at the alpha-position rather than the beta-position. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.09.024
• 作为产物：
  描述：

  在 氯 、 溶剂黄146 作用下， 生成 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexane-1-sulfonyl chloride
  参考文献：
  名称：

  An entirely new methodology for synthesizing perfluorinated compounds: synthesis of perfluoroalkanesulfonyl fluorides from non-fluorinated compounds

  摘要：

  A new synthetic procedure for the preparation of perfluoroalkanesulfonyl fluorides utilizing liquid-phase direct fluorination with elemental fluorine has been developed. Direct fluorination of a partially fluorinated ester, which has alkanesulfonyl fluoride in the end, was synthesized from non-fluorinated counterparts and perfluorinated acid fluoride according to the PERFECT process, gave the desired perfluorinated product in moderate yield as well as by-products arising from C-S bond cleavage. The results of the direct fluorination of some model substrates suggest that the C-S bond cleavage occurred due to radical formation at the alpha-position rather than the beta-position. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.09.024