methyl pentadecafluorothiooctanoate | 181820-80-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl pentadecafluorothiooctanoate
• 英文别名: S-methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanethioate
• CAS: 181820-80-4
• 化学式: C₉H₃F₁₅OS
• 分子量: 444.164
• InChiKey: IIJSUCZRKPSLNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  二甲基二硫 、 methyl pentadecafluorothiooctanoate 以 二氯甲烷 为溶剂， 反应 5.0h， 以81%的产率得到methyl pentadecafluoroheptyl sulfide
  参考文献：
  名称：

  Synthetic Uses of Thio- and Selenoesters of Trifluoromethylated Acids. 1. Preparation of Trifluoromethyl Sulfides and Selenides

  摘要：

  Trifluorothioacetates (CF3CO-S-R, from (CF3CO)(2)O and thiols) as well as trifluoromethanethio-or trifluoromethaneselenosulfonates (CF3SO2-Y-R; Y = S, Se; from CF3SO2Na, RYYR, and Br-2) can be formally decarbonylated or desulfonylated, respectively, provided that they are photolyzed at 40 degrees C in the presence of 1 equiv of the corresponding disulfide or diselenide. Trifluoromethyl sulfides or selenides are obtained, and the added disulfide (or diselenide) is recovered after reaction. In such a way, S-(trifluoromethyl)cysteine derivatives can be obtained.

  DOI：

  10.1021/jo980649a
• 作为产物：
  描述：

  Pentadecafluorooctanethioic acid methyl ester 以 六甲基磷酰三胺 为溶剂， 反应 1.0h， 以85%的产率得到methyl pentadecafluorothiooctanoate
  参考文献：
  名称：

  Methyl Perfluorooctanethionate as a Tool for Indirect Perfluoroalkylmethylation and Perfluoroalkylation of Amines

  摘要：

  DOI：

  10.1055/s-1998-1913

文献信息

• Synthetic Uses of Thio- and Selenoesters of Trifluoromethylated Acids. 1. Preparation of Trifluoromethyl Sulfides and Selenides
  作者：Thierry Billard、Nicolas Roques、Bernard R. Langlois

  DOI：10.1021/jo980649a

  日期：1999.5.1

  Trifluorothioacetates (CF3CO-S-R, from (CF3CO)(2)O and thiols) as well as trifluoromethanethio-or trifluoromethaneselenosulfonates (CF3SO2-Y-R; Y = S, Se; from CF3SO2Na, RYYR, and Br-2) can be formally decarbonylated or desulfonylated, respectively, provided that they are photolyzed at 40 degrees C in the presence of 1 equiv of the corresponding disulfide or diselenide. Trifluoromethyl sulfides or selenides are obtained, and the added disulfide (or diselenide) is recovered after reaction. In such a way, S-(trifluoromethyl)cysteine derivatives can be obtained.
• Methyl Perfluorooctanethionate as a Tool for Indirect Perfluoroalkylmethylation and Perfluoroalkylation of Amines
  作者：László E. Kiss

  DOI：10.1055/s-1998-1913

  日期：1998.11