HuagongsheHuagongshe Chemistry Print Report · For research reference only
beta-Amino-3-chlorobenzeneethanol → 1-(1-(3-Chlorophenyl)-2-hydroxyethyl)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)thiourea
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | beta-Amino-3-chlorobenzeneethanol | HCID 10953980 | — |
| Reactant | 3-(4-Isothiocyanatophenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole | HCID 118590165 | — |
| Product | 1-(1-(3-Chlorophenyl)-2-hydroxyethyl)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)thiourea | HCID 118590153 | — |
Reaction Steps
The title compound was prepared with 2-amino-2-(3-chlorophenyl)ethanol (Galley, G.; et al., WO 2008092785) and 3-(4-isothiocyanato-phenyl)-1-(4-trifluoromethoxy-phenyl)-1H-1,2,4-triazole and isolated as an white solid (1.44 g, 99%): 1H NMR (300 MHz, CDCl3) δ 7.96 (s, 1H), 7.66-7.53 (m, 3H), 7.25-7.08 (m, 2H), 6.77 (dd, J=8.6, 6.3 Hz, 4H), 6.70-6.61 (m, 4H), 6.58 (dd, J=6.4, 2.2 Hz, 1H), 6.49 (d, J=7.8 Hz, 1H), 5.18-4.95 (m, 1H), 3.43 (dd, J=11.3, 3.9 Hz, 1H), 3.31 (dd, J=11.3, 4.6 Hz, 1H); ESIMS m/z 534 ([M+H]+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09326516B2 |
| Source dataset | uspto-grants-2016_05 |
| ORD ID | ord-15f0f9a047aa4421a998f1328cbed052 |
| Source note | uspto-grants-2016_05 |