Trifluoroacetic acid → HCID 11168089, compound

Participants

Reaction Conditions

Reaction Steps

A mixture of the nitrile (0.014 g, 0.032 g) and thiosemicarbazide (0.004 g, 0.049 mmol) in TFA was heated to 60° C. for 15 hr. The mixture was then cooled and concentrated. The residue was taken up in DMF and purified by reverse phase HPLC (5% CH3CN:95% H2O:0.01% TFA to 95% CH3CN: 5% H2O: 0.01% TFA). NMR (500 MHz, d6 DMSO) δ 12.98 (bs, 1H), 8.77 (bs, 2H), 8.08 (d, 1H, J=2.19 Hz), 7.95 (d, 2H, J=7.1 Hz), 7.70 (d, 1H, J=6.84 Hz), 7.67-7.60 (m, 3H), 7.50 (t, 2H, J=7.81 Hz) 7.38-7.25 (m, 7H), 6.79 (d, 1H, J=7.6 Hz), 6.57 (t, 1H, J=8.05 Hz), 4.22 (t, 2H, J=5.61 Hz), 3.39 (t, 2H, J=6.8 Hz), 3.28-3.15 (m, 2H) LRMS m/z (M+H) Calcd: 507.0, found: 507.0

Provenance & Evidence