(1,1,2-Trichloro-2,2-difluoroethyl) trifluoromethanesulfonate | 73323-72-5

• 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: (1,1,2-Trichloro-2,2-difluoroethyl) trifluoromethanesulfonate
• CAS: 73323-72-5
• 化学式: C₃Cl₃F₅O₃S
• 分子量: 317.448
• InChiKey: JQPLUYLYDJNYSB-UHFFFAOYSA-N

物化性质

• 熔点：
  -103.0 °C
• 沸点：
  125.1 °C
• 密度：
  1.901±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,1-二氯-2,2-二氟乙烯 、 Chlorine(I) trifluoromethanesulfonate 反应 15.0h， 以86%的产率得到(1,1,2-Trichloro-2,2-difluoroethyl) trifluoromethanesulfonate
  参考文献：
  名称：

  Synthesis of haloalkyl esters of trifluoromethanesulfonic acid by the regio- and stereospecific addition of chlorine(I) and bromine(I) trifluoromethanesulfonate to alkenes

  摘要：

  DOI：

  10.1021/jo01300a035

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.SVol.3, 6.2.3.1, page 48 - 120
  作者：

  DOI：——

  日期：——
• Reaction of Boron Triflate with Polyfluoroolefins. Synthesis of Polyfluorinated Allyl Trifluoromethanesulfonates
  作者：Viacheslav A. Petrov

  DOI：10.1021/jo972166x

  日期：1998.5.1

  Terminal F-olefins (F designates perfluorinated molecules) react with boron triflate (1) to form corresponding allyl triflates RfCF=CFCF2OSO2CF3 in moderate yield. The reaction of F-pentene-2 is much slower, resulting in insertion of CF3SO2O into the CF3 group of fluorolefin. Mono- and dihydrofluorolefins were found to be more reactive toward 1. Both F-cylobutene and F-cyclopentene were converted into corresponding cyclic allyl triflates by reaction with 1, but F-cyclohexene was found to be resistant to the action of boron triflate. In contrast to terminal fluorolefins, both 5H,6H-F-n-decene-5 and 1H,1H-F-isobutene react with 1 without rearrangement;, producing corresponding allyl triflates in 47 and 63% yields, respectively.
• KATSUHARA YUTAKA; MARTEAU D. D. DES, J. ORG. CHEM., 1980, 45, NO 12, 2441-2446
  作者：KATSUHARA YUTAKA、 MARTEAU D. D. DES

  DOI：——

  日期：——
• Synthesis of haloalkyl esters of trifluoromethanesulfonic acid by the regio- and stereospecific addition of chlorine(I) and bromine(I) trifluoromethanesulfonate to alkenes
  作者：Yutaka Katsuhara、Darryl D. DesMarteau

  DOI：10.1021/jo01300a035

  日期：1980.6