3-Fluorophenyl isocyanate → HCID 69016373, 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 1-fluoro-3-isocyanatobenzene as the starting materials in 49% yield. LCMS for C25H21ClFN6O (M+H)+: m/z=475.2. 1H NMR (400 MHz, DMSO-d6): δ 9.56 (s, 1H), 9.47 (s, 1H), 9.03 (m, 1H), 8.81 (m, 1H), 8.12 (s, 1H), 7.86 (m, 1H), 7.40 (m, 1H), 7.31 (m, 1H), 7.24 (m, 2H), 7.05 (m, 3H), 6.84 (m, 2H), 6.68 (m, 1H), 2.82 (m, 4H).

Provenance & Evidence