4-Cyanophenyl isocyanate → HCID 69014467, compound

Participants

Reaction Steps

The desired compound was prepared according to the procedure of Example B83, using 6-chloro-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-nonaen-11-amine bis(trifluoroacetate) and 4-isocyanatobenzonitrile as the starting materials in 52% yield. LCMS for C26H21ClN7O (M+H)+: m/z=482.2. 1H NMR (400 MHz, DMSO-d6): δ 9.55 (s, 1H), 9.49 (s, 1H), 9.35 (s, 1H), 8.97 (s, 1H), 8.12 (s, 1H), 7.86 (m, 1H), 7.67 (m, 2H), 7.59 (m, 2H), 7.33 (m, 1H), 7.23 (m, 1H), 7.05 (m, 2H), 6.83 (m, 2H), 2.82 (m, 4H).

Provenance & Evidence