Phenyl isocyanate → HCID 86636307, 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 phenyl isocyanate as the starting materials in 39% yield. LCMS for C29H29ClN7O (M+H)+: m/z=526.1. 1H NMR (400 MHz, DMSO-d6): δ 9.51 (s, 1H), 9.35 (br s, 1H), 8.59 (s, 1H), 8.14 (s, 1H), 7.96 (s, 1H), 7.78 (s, 1H), 7.49-7.46 (m, 2H), 7.25-7.21 (m, 2H), 7.13-7.04 (m, 3H), 6.95-6.83 (m, 3H), 3.61 (br s, 4H), 2.99 (s, 4H), 2.84 (br s, 4H).

Provenance & Evidence