HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Amino-2-(4-fluorophenyl)ethanol → 1-(1-(4-Fluorophenyl)-2-hydroxyethyl)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)thiourea
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-Amino-2-(4-fluorophenyl)ethanol | HCID 14853201 | — |
| Reactant | 3-(4-Isothiocyanatophenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole | HCID 118590165 | — |
| Product | 1-(1-(4-Fluorophenyl)-2-hydroxyethyl)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)thiourea | HCID 118590143 | — |
Reaction Steps
The title compound was prepared with 2-amino-2-(4-fluorophenyl)ethanol and 3-(4-isothiocyanato-phenyl)-1-(4-trifluoromethoxy-phenyl)-1H-1,2,4-triazole and isolated as an off-white solid (1.42 g, 81%): 1H NMR (300 MHz, CDCl3) δ 7.96 (s, 1H), 7.72-7.57 (m, 2H), 7.27 (s, 1H), 7.23-7.14 (m, 2H), 6.87-6.72 (m, 4H), 6.64-6.56 (m, 2H), 6.38-6.22 (m, 3H), 5.05 (s, 1H), 3.47-3.28 (m, 2H), 3.20 (s, 3H); ESIMS m/z 530 ([M+H]+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09326516B2 |
| Source dataset | uspto-grants-2016_05 |
| ORD ID | ord-c971bd605e3d465e9cf452b73c458322 |
| Source note | uspto-grants-2016_05 |