Methanesulfonic Acid, 1,1,1-Trifluoro-, Trifluoromethyl Ester

[3582-05-6] C2F6O3S (MW 218.07) InChI = 1S/C2F6O3S/c3-1(4,5)11-12(9,10)2(6,7)8 InChIKey = GVZFDPPAJXHNGL-UHFFFAOYSA-N (reagent for nucleophilic trifluoromethoxylation of organic compounds) Alternate Names: trifluoromethyl triflate, trifluoromethyl trifluoromethanesulfonate, TFMT. Solubility: in the major organic solvents (alkanes, alcohols, diethyl ether, dichloromethane, DMF, DMSO). Form Supplied in: volatile liquid (bp = 21 °C). Analysis of Reagent Purity:1 13C NMR (CDCl3) 118.8 δq, 1JC–F = 273 Hz), 118.4 (q, 1JC–F = 320 Hz). 19F NMR (CDCl3) δ −73.5 (q, 5JF–F = 4.5 Hz), −52.9 (q, 5JF–F = 3.0 Hz). Preparative Methods: various methods to prepare 1 have been described.1-11 Equations 1-4 describe methods based on commercially available reagents,3, 4, 7-10 eqs 3 and 4 appear to be easiest to implement. A combination of these two procedures describes synthesis of 1 in 56% yield.1 (1) (2) (3) (4) Purification: distillation. Handling, Storage, and Precautions: store at low temperature (5 °C or −20 °C).