HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(2-(2-bromo-5-fluorophenyl)-2H-1,2,4-triazol-3-yl)methanol → 4-Fluoro-2-(5-hydroxymethyl-[1,2,4]triazol-1-yl)-benzonitrile
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|---|---|---|
| Edukt | (2-(2-bromo-5-fluorophenyl)-2H-1,2,4-triazol-3-yl)methanol | HCID 21069783 | — |
| Edukt | 4-Fluoro-2-pyrazol-1-yl-benzonitrile | HCID 21069916 | — |
| Edukt | HCID 178418546 | HCID 178418546 | — |
| Lösungsmittel | Dimethylformamide | HCID 6228 | — |
| Produkt | 4-Fluoro-2-(5-hydroxymethyl-[1,2,4]triazol-1-yl)-benzonitrile | HCID 21069901 | 48% |
Reaktionsschritte
This compound was prepared from (2-(2-bromo-5-fluorophenyl)-2H-1,2,4-triazol-3-yl)methanol and CuCN in DMF at 125-130° C. for 5 h by the method used for the preparation of 4-fluoro-2-pyrazol-1-yl-benzonitrile. Yield: 48% (beige solid) HPLC rt=1.11 min. LC/MS m/z 219 (M+H). 1H NMR (CDCl3, 500 MHz) δ ppm 2.39 (1H, br.s, OH), 4.79 (2H, s, 9-OCH2), 7.32-7.40 (1H, m, 5-CH), 7.50 (1H, d, J=8.2, 2.1 Hz, 3-CH), 7.87 (1H, dd, J=8.5, 5.5 Hz, 6-CH), 8.14 (1H, s, 9-CH). HRMS (ESI) calcd for C10H8FN4O (M+H) 219.0682; found 219.0689 (δ+3.1 ppm).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patentnummer | US07491819B1 |
| Quelldatensatz | uspto-grants-2009_02 |
| ORD ID | ord-98bd67ea199e47e98bb4843f415e8485 |
| Quellennotiz | uspto-grants-2009_02 |