[2-14C]-1H,1H,1H-perfluorohexan-2-one | 223128-66-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-14C]-1H,1H,1H-perfluorohexan-2-one
• 英文别名: 3,3,4,4,5,5,6,6,6-nonafluoro(214C)hexan-2-one
• CAS: 223128-66-3
• 化学式: C₆H₃F₉O
• 分子量: 264.064
• InChiKey: LPPFRPMJUNOKRS-HQMMCQRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [2-14C]-1H,1H,1H-perfluorohexan-2-one 在 sulfur tetrafluoride 作用下， 反应 18.0h， 生成 [2-14C]-1H,1H-perfluoro-1-hexene 、 [2-14C]-1H,1H,1H-perfluorohexane
  参考文献：
  名称：

  Synthesis of [2-14C]perfluorohexane

  摘要：

  A general synthesis of [2-C-14]perfluoroalkanes from 1-iodoperfluoroalkanes and ethyl acetate was developed by synthesis of unlabeled perfluorodecane from 1-iodoperfluorooctane. Using the general synthesis, [2-C-14]perfluorohexane was synthesized from ethyl [1-C-14]acetate and 1-iodoperfluorobutane as illustrated in Scheme 1.

  DOI：

  10.1002/(sici)1099-1344(199903)42:3<227::aid-jlcr181>3.0.co;2-t
• 作为产物：
  描述：

  乙酸乙酯-1-14C 、 全氟碘代丁烷 在 乙基溴化镁 、 magnesium 作用下， 以 乙醚 为溶剂， 反应 122.0h， 以60%的产率得到[2-14C]-1H,1H,1H-perfluorohexan-2-one
  参考文献：
  名称：

  Synthesis of [2-14C]perfluorohexane

  摘要：

  A general synthesis of [2-C-14]perfluoroalkanes from 1-iodoperfluoroalkanes and ethyl acetate was developed by synthesis of unlabeled perfluorodecane from 1-iodoperfluorooctane. Using the general synthesis, [2-C-14]perfluorohexane was synthesized from ethyl [1-C-14]acetate and 1-iodoperfluorobutane as illustrated in Scheme 1.

  DOI：

  10.1002/(sici)1099-1344(199903)42:3<227::aid-jlcr181>3.0.co;2-t

文献信息

• Synthesis of [2-14C]perfluorohexane
  作者：M. Haddach、J. Sapienza、C. M. Sharts

  DOI：10.1002/(sici)1099-1344(199903)42:3<227::aid-jlcr181>3.0.co;2-t

  日期：1999.3

  A general synthesis of [2-C-14]perfluoroalkanes from 1-iodoperfluoroalkanes and ethyl acetate was developed by synthesis of unlabeled perfluorodecane from 1-iodoperfluorooctane. Using the general synthesis, [2-C-14]perfluorohexane was synthesized from ethyl [1-C-14]acetate and 1-iodoperfluorobutane as illustrated in Scheme 1.