3,5-Dimethylisoxazole-4-isocyanate → HCID 86636194, compound

Participants

Reaction Steps

The desired compound was prepared according to the procedure of Example A9, step H using 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]-2-piperidin-4-ylacetamide tris(trifluoroacetate) and 4-isocyanato-3,5-dimethylisoxazole as starting materials in 30% yield. 1H NMR (300 MHz, DMSO-d6): δ 10.02 (s, 1H), 9.41 (m, 2H), 9.00 (s, 1H), 8.30 (m, 2H), 8.20 (s, 1H), 7.88 (s, 1H), 7.67 (s, 1H), 7.30 (d, 1H), 7.05 (d, 1H), 4.02 (m, 2H), 2.98 (m, 4H), 2.80 (m, 2H), 2.32 (m, 2H), 2.20 (s, 3H), 2.12 (m, 4H), 1.80 (m, 2H), 1.20 (m, 2H). LCMS for C30H33ClN9O3 (M+H)+: m/z=602.2.

Provenance & Evidence