3-Isocyanatobenzonitrile → HCID 86636304, compound

Participants

Reaction Steps

The desired compound was prepared according to the procedure of Example D41 using 6-chloro-12-piperazin-1-yl-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-nonaene bis(trifluoroacetate) and 3-isocyanatobenzonitrile as the starting materials in 35% yield. LCMS for C30H28ClN8O (M+H)+: m/z=551.0. 1H NMR (300 MHz, DMSO-d6): δ 9.49 (s, 1H), 9.34 (s, 1H), 8.95 (s, 1H), 8.14 (s, 1H), 7.97-7.96 (m, 2H), 7.79-7.75 (m, 2H), 7.48-7.37 (m, 2H), 7.13-7.03 (m, 3H), 6.89-6.82 (m, 2H), 3.63 (br s, 4H), 2.99 (s, 4H), 2.84 (brs, 4H).

Provenance & Evidence