4-Cyanophenyl isocyanate → HCID 69017537, compound

Participants

Reaction Steps

The desired compound was prepared according to the procedure of Example A9, step H using N-[6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]piperidine-4-carboxamide bis(trifluoroacetate) and 4-isocyanatobenzonitrile as starting materials in 44% yield. 1H NMR (300 MHz, DMSO-d6): δ 9.43 (s, 1H), 9.33 (m, 2H), 9.01 (s, 1H), 8.12 (s, 1H), 8.00 (s, 1H), 7.75 (s, 1H), 7.65 (s, 4H), 7.20 (d, 1H), 7.04 (m, 2H), 6.87 (d, 1H), 6.78 (d, 1H), 4.20 (d, 2H), 2.90 (m, 6H), 2.69 (m, 1H), 1.89 (m, 2H), 1.61 (m, 2H). LCMS for C32H30ClN8O2 (M+H)+: m/z=593.2.

Provenance & Evidence