4-Isothiocyanato-2-(trifluoromethyl)benzonitrile → HCID 86668137, compound

Participants

Reaction Steps

The title compound was prepared according to General Method 1. A solution of methyl 2-(3-fluoro-4-(methoxymethyl)phenylamino)-2-methylpropanoate (60 mg, 0.24 mmol) and 2-(trifluoromethyl)-4-isothiocyanatobenzonitrile (120 mg, 0.52 mmol) in DMSO (1 mL) was heated at 82° C. for 12 h. The reaction mixture was poured in water (10 mL) and extracted with ethyl acetate. The organic layer was dried over Na2SO4, concentrated under reduced pressure and purified by silica gel chromatography (100-200 mesh) to obtain 5 mg of final product, HPLC, Column: YMC ODS AQ, 4.6×250 mm, 5 μm, Mobile Phase A: 0.05% TFA, Mobile Phase B: ACN, Gradient: 10% to 90% B in 10 min, hold for 10 min. 90% to 10% B in 1 min, Flow Rate: 1 mL/min, Retention time: 13.316 min, M+1, 452.

Provenance & Evidence