Methyl Isocyanate → N-[6-Chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-N'-methylurea bis(trifluoroacetate)

Participants

Reaction Steps

The desired compound was prepared according to the procedure of Example B83, using 6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-amine bis(trifluoroacetate) and methyl isocyanate as the starting materials in 52% yield. LCMS for C19H19ClN7O (M+H)+: m/z=396.1. 1H NMR (400 MHz, DMSO-d6): δ 9.97 (s, 1H), 9.31 (s, 1H), 8.99 (m, 1H), 8.30 (m, 2H), 8.18 (s, 1H), 7.84 (m, 1H), 7.65 (d, 1H), 7.56 (d, 1H), 6.98 (dd, 1H), 6.40 (bs, 1H), 2.96 (m, 4H), 2.64 (d, 3H).

Provenance & Evidence