Reaction #607410

ord-9769500951fc4791a56f2e615ecc5158

Reaction equation

NC(CO)c1ccc(Br)cc1
2-amino-2-(4-bromophenyl)ethanol
FC(F)(F)Oc1ccc(-n2cnc(-c3ccc(N=C=S)cc3)n2)cc1
3-(4-isothiocyanato-phenyl)-1-(4-trifluoromethoxy-phenyl)-1H-1,2,4-triazole
OCC(NC(=S)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)c1ccc(Br)cc1
title compound
OCC(NC(=S)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)c1ccc(Br)cc1
1-(1-(4-Bromophenyl)-2-hydroxyethyl)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)thiourea

Conditions

Detailed conditions
See reaction.notes.procedure_details.

Procedure

The title compound was prepared with 2-amino-2-(4-bromophenyl)ethanol (Chen, L.; et al., US 20060004045) and 3-(4-isothiocyanato-phenyl)-1-(4-trifluoromethoxy-phenyl)-1H-1,2,4-triazole and isolated as a white solid (1.58 g, 98%): 1H NMR (400 MHz, CDCl3) δ 8.60 (s, 1H), 8.41-8.05 (m, 3H), 8.03-7.68 (m, 2H), 7.68-6.95 (m, 10H), 5.88-5.44 (m, 1H), 4.25-3.80 (m, 2H); ESIMS m/z 578 ([M+H]+).

Source

DOI: 10.6084/m9.figshare.5104873.v1Patent: US09326516B2uspto-grants-2016_05