methyl trifluorodithioacetate | 200802-69-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: methyl trifluorodithioacetate
• 英文别名: methyl 2,2,2-trifluoroethanedithioate
• CAS: 200802-69-3
• 化学式: C₃H₃F₃S₂
• 分子量: 160.184
• InChiKey: JWWOVBFXIOLFQA-UHFFFAOYSA-N

物化性质

• 沸点：
  116.1±40.0 °C(Predicted)
• 密度：
  1.412±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  57.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl trifluorodithioacetate 、 4-氨基丁酸 在 三乙胺 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以42%的产率得到4-(2,2,2-trifluoro-thioacetylamino)-butyric acid
  参考文献：
  名称：

  Synthesis and Reactivity of Trifluorodithioacetates Derived from Trifluorothioacetamides

  摘要：

  A general synthesis of trifluorodithioacetates is described by thiolysis of trifluorothioamidium salts, derived from trifluorothioacetamides. The reactivity of these CF3 bearing C-2 building blocks has been investigated towards nucleophiles and in cycloaddition reactions. Trifluorodithioacetates react with dienes to give thiopyrans and with diazo compounds to give trifluoromethyl vinyl sulphides via thiirane intermediates. With amines, trifluorodithioacetates give rise to trifluorothioacetamides while thiols add by thiophilic attack leading to new trifluoroethane dithioacetal disulphide. Two equivalents of phosphite furnish one equivalent of thiophosphate and one of phosphorylated trifluoroethane.

  DOI：

  10.1002/prac.199733901128
• 作为产物：
  描述：

  在 硫化氢 作用下， 以 二氯甲烷 为溶剂， 生成 methyl trifluorodithioacetate
  参考文献：
  名称：

  Synthesis and Reactivity of Trifluorodithioacetates Derived from Trifluorothioacetamides

  摘要：

  A general synthesis of trifluorodithioacetates is described by thiolysis of trifluorothioamidium salts, derived from trifluorothioacetamides. The reactivity of these CF3 bearing C-2 building blocks has been investigated towards nucleophiles and in cycloaddition reactions. Trifluorodithioacetates react with dienes to give thiopyrans and with diazo compounds to give trifluoromethyl vinyl sulphides via thiirane intermediates. With amines, trifluorodithioacetates give rise to trifluorothioacetamides while thiols add by thiophilic attack leading to new trifluoroethane dithioacetal disulphide. Two equivalents of phosphite furnish one equivalent of thiophosphate and one of phosphorylated trifluoroethane.

  DOI：

  10.1002/prac.199733901128