HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)aniline → 3-(4-isothiocyanatophenyl)-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)aniline | HCID 89373120 | — |
| Reactant | 3-(4-Isothiocyanatophenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole | HCID 118590165 | — |
| Product | 3-(4-isothiocyanatophenyl)-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole | HCID 118590171 | 94% |
Reaction Steps
Prepared according to the procedure reported in (WO 2011017513) for 3-(4-isothiocyanato-phenyl)-1-(4-trifluoromethoxy-phenyl)-1H-1,2,4-triazole from 4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)aniline and isolated as a white solid (10.6 g, 94%): 1H NMR (300 MHz, CDCl3) δ 8.07 (s, 1H), 7.73-7.41 (m, 2H), 7.41-7.05 (m, 4H), 6.92-6.63 (m, 2H); ESIMS m/z 347 ([M+H]+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09326516B2 |
| Source dataset | uspto-grants-2016_05 |
| ORD ID | ord-6d3545a3468b41a0802d6c7984b5870c |
| Source note | uspto-grants-2016_05 |