4-Cyanophenyl isocyanate → HCID 86636308, 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 4-isocyanatobenzonitrile as the starting materials in 38% yield. LCMS for C30H28ClN8O (M+H)+: m/z=551.0. 1H NMR (400 MHz, DMSO-d6): δ 9.46 (br s, 1H), 9.29 (br s, 1H), 9.09 (s, 1H), 8.13 (s, 1H), 7.97 (s, 1H), 7.79 (d, J=2.3 Hz, 1H), 7.69 (s, 4H), 7.12-7.03 (m, 3H), 6.88-6.82 (m, 2H), 3.64 (br s, 4H), 2.98 (s, 4H), 2.84 (brs, 4H).

Provenance & Evidence