4-Chlorophenyl Isocyanate → HCID 52951866, compound

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Reaction Steps

The titled compound was prepared in 92% yield from 4-chlorophenyl isocyanate using the procedure detailed for compound 7. mp 103.2-110.4° C. 1H NMR (300 MHz, DMSO-d6): δ 8.60 (s, 1H), 7.79 (d, J=9 Hz, 2H), 7.47-7.35 (m, 9H), 7.29-7.21 (m, 4H), 6.57 (s, 1H), 6.29 (t, J=6 Hz, 1H), 3.26-3.13 (m, 2H), 2.68 (t, J=8 Hz, 2H), 1.92-1.77 (m, 2H). MS (ESI) m/z: 510.14 (M+H+). Anal. Calcd for C25H24ClN5O3S.MeOH: C, 58.22; H, 4.98; N, 13.31. Found: C, 58.18; H, 4.78; N, 13.25.

Provenance & Evidence