3-(Trifluoromethyl)phenyl isocyanate → HCID 52951735, compound

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Reaction Steps

The titled compound was prepared in 84% yield from 3-(trifluoromethyl)phenyl isocyanate using the procedure detailed for compound 7. mp 175.5-176.4° C. 1H NMR (300 MHz, DMSO-d6): δ 8.85 (s, 1H), 7.98 (s, 1H), 7.79 (d, J=9 Hz, 2H), 7.53-7.35 (m, 9H), 7.29-7.18 (m, 3H), 6.57 (s, 1H), 6.38 (t, J=6 Hz, 1H), 3.25-3.17 (m, 2H), 2.69 (t, J=8 Hz, 2H), 1.94-1.80 (m, 2H). MS (ESI) m/z: 544.16 (M+H+). Anal. Calcd for C26H24F3N5O3S: C, 57.45; H, 4.45; N, 12.88. Found: C, 57.31; H, 4.46; N, 12.74.

Provenance & Evidence