3-(Trifluoromethyl)phenyl isocyanate → HCID 86636306, 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 1-isocyanato-3-(trifluoromethyl)benzene as the starting materials in 44% yield. LCMS for C30H28ClF3N7O (M+H)+: m/z=594.0. 1H NMR (400 MHz, DMSO-d6): δ 9.67 (br s, 1H), 9.55 (br s, 1H), 8.94 (s, 1H), 8.18 (s, 1H), 7.95-7.92 (m, 2H), 7.77-7.75 (m, 2H), 7.47 (dd, J=8.0, 8.0 Hz, 1H), 7.27 (d, J=7.8 Hz, 1H), 7.14-7.02 (m, 3H), 6.88-6.85 (m, 2H), 3.64 (br s, 4H), 3.01 (s, 4H), 2.85-2.82 (m, 4H).

Provenance & Evidence