4-(Trifluoromethyl)phenyl isocyanate → HCID 86636305, 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-4-(trifluoromethyl)benzene as the starting materials in 41% yield. LCMS for C30H28ClF3N7O (M+H)+: m/z=594.0. 1H NMR (400 MHz, DMSO-d6): δ 9.49 (s, 1H), 9.32 (br s, 1H), 9.00 (s, 1H), 8.13 (s, 1H), 7.96 (s, 1H), 7.79 (d, J=2.3 Hz, 1H), 7.72-7.70 (m, 2H), 7.60-7.57 (m, 2H), 7.12-7.03 (m, 3H), 6.88-6.82 (m, 2H), 3.64 (br s, 4H), 2.99 (s, 4H), 2.84 (br s, 4H).

Provenance & Evidence