1-Chloro-4-isocyanato-2-(trifluoromethyl) benzene → HCID 58024281, compound

Participants

Reaction Steps

Method G was used with 4-(3-amino-5-(trifluoromethyl)phenoxy)-3-nitropyridin-2-amine and 4-chloro-3-trifluoromethylphenyl isocyanate to afford the title compound as a yellow powder (262 mg, 98%). 1H-NMR (δ, ppm, DMSO-d6): 6.17 (d, 1H, HPy,4, J=5.6 Hz), 7.19 (m, 1H, Harom), 7.28 (bs, 2H, NHPy), 7.56 (s, 1H, Harom), 7.61 (d, 1H, Harom, J=8.7 Hz), 7.68 (dd, 1H, Harom, J=8.7 Hz, J=2.1 Hz), 7.80 (s, 1H, Harom), 8.07 (d, 1H, Harom, J=2.3 Hz), 8.08 (d, 1H, HPy,5, J=5.6 Hz), 9.43 (bs, 2H, NHurea). 13C-NMR (δ, ppm, DMSO-d6): 101.5 (C-4); 109.9 (C-11); 111.6 (C-9); 113.0 (C-7); 117.1 (C-15); 117.2 (C-2); 122.2 (C-17); 122.8 (C-16); 123.5 (C-19); 124.4 (C-10); 126.6 (C-20); 131.0 (C-12); 131.9 (C-18); 138.7 (C-14); 142.1 (C-8); 152.2 (C-13); 153.5 (C-5); 153.9 (C-1); 154.4 (C-6); 157.8 (C-3). LC-MS (m/z): 536 (M+H, 100).

Provenance & Evidence