Abstract
[1045821-71-3] C7H6F3NS (MW 193.19) InChI = 1S/C7H6F3NS/c8-7(9,10)12-11-6-4-2-1-3-5-6/h1-5,11H InChIKey = GYSYFBPOQKDJLU-UHFFFAOYSA-N (reagent for electrophilic trifluoromethylthiolation of organic compounds) Alternate Names: N-[(trifluoromethyl)sulfanyl]aniline, N-phenyl trifluoromethanesulfenamide. Solubility: in most common organic solvents (alkanes, alcohols, diethyl ether, dichloromethane, DMF, DMSO, etc.). Form Supplied in: pale yellow liquid. Analysis of Reagent Purity: 1H NMR (CDCl3) δ 7.35 (m, 2H), 7.15 (m, 2H), 7.06 (m, 1H), 5.09 (bs, 1H). 13C NMR (CDCl3) δ 145.5, 129.8 (q, 1JCF = 315 Hz), 129.7, 122.3, 115.6. 19F NMR (CDCl3) δ −53.33. Preparative Methods:3 prepared by reaction of DAST (N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine, 3) with the Ruppert-Prakash reagent (trimethyl(trifluoromethyl)silane, 2) in the presence of DIEA (N-ethyl-N-isopropylpropan-2-amine) at −20 °C in dichloromethane, followed by addition of aniline. This procedure has been performed on 20 g scale (eq 1). (1) Purification: flash chromatography (eluent cyclohexane/ethyl acetate 98:2). Handling, Storage, and Precautions: no specific precautions. Store in refrigerator.
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