Perfluoroallyl triflate | 170162-62-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: Perfluoroallyl triflate
• 英文别名: 1,1,2,3,3-Pentafluoroprop-2-enyl trifluoromethanesulfonate
• CAS: 170162-62-6
• 化学式: C₄F₈O₃S
• 分子量: 280.095
• InChiKey: FDVQADDMHICWCN-UHFFFAOYSA-N

物化性质

• 沸点：
  127.5±40.0 °C(Predicted)
• 密度：
  1.763±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Perfluoroallyl triflate 在 potassium iodide 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 1.0h， 以81%的产率得到3-碘季戊四醇氟代丙烷-1
  参考文献：
  名称：

  A new route to polyfluorinated trifluoromethanesulfonates. Synthesis of perfluoroallyl and perfluorobenzyl triflates

  摘要：

  Polyfluoroalkyl trifluoromethanesulfonates (triflates) can be prepared in good to excellent yields by the reaction of halofluoroalkanes such as CFC-11, CFC-113 and CFC-112 with boron triflate at 20-25 degrees C. Hexafluoropropene (HFP) is more active and reacts with B(OSO2CF3)(3) even at 0 degrees C to give perfluoroallyl triflate in 68% yield. Octafluorotoluene, 1,1,2-trichloro-3,3,3-trifluoroprop-1-ene and hexafluoro-2,3-dichloro-but-2-ene also produce the corresponding triflates in 30-60% yields on reaction with boron triflate.

  DOI：

  10.1016/0022-1139(94)03210-q
• 作为产物：
  描述：

  六氟丙烯 、 boron triflate 反应 5.0h， 以68%的产率得到Perfluoroallyl triflate
  参考文献：
  名称：

  A new route to polyfluorinated trifluoromethanesulfonates. Synthesis of perfluoroallyl and perfluorobenzyl triflates

  摘要：

  Polyfluoroalkyl trifluoromethanesulfonates (triflates) can be prepared in good to excellent yields by the reaction of halofluoroalkanes such as CFC-11, CFC-113 and CFC-112 with boron triflate at 20-25 degrees C. Hexafluoropropene (HFP) is more active and reacts with B(OSO2CF3)(3) even at 0 degrees C to give perfluoroallyl triflate in 68% yield. Octafluorotoluene, 1,1,2-trichloro-3,3,3-trifluoroprop-1-ene and hexafluoro-2,3-dichloro-but-2-ene also produce the corresponding triflates in 30-60% yields on reaction with boron triflate.

  DOI：

  10.1016/0022-1139(94)03210-q

文献信息

• [EN] METHODS OF MAKING A POLYFLUORINATED ALLYL ETHER AND COMPOUNDS RELATING TO THE METHODS<br/>[FR] PROCÉDÉS DE FABRICATION D'UN ÉTHER D'ALLYLE POLYFLUORÉ ET COMPOSÉS ASSOCIÉS AUX PROCÉDÉS
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2018211457A3

  公开（公告）日：2019-02-07
• A new route to polyfluorinated trifluoromethanesulfonates. Synthesis of perfluoroallyl and perfluorobenzyl triflates
  作者：V.A. Petrov

  DOI：10.1016/0022-1139(94)03210-q

  日期：1995.7

  Polyfluoroalkyl trifluoromethanesulfonates (triflates) can be prepared in good to excellent yields by the reaction of halofluoroalkanes such as CFC-11, CFC-113 and CFC-112 with boron triflate at 20-25 degrees C. Hexafluoropropene (HFP) is more active and reacts with B(OSO2CF3)(3) even at 0 degrees C to give perfluoroallyl triflate in 68% yield. Octafluorotoluene, 1,1,2-trichloro-3,3,3-trifluoroprop-1-ene and hexafluoro-2,3-dichloro-but-2-ene also produce the corresponding triflates in 30-60% yields on reaction with boron triflate.