HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 1664138Erstellt: 26. Oktober 2026
Hydrochloric Acid → 2-fluoro-4-(1H-1,2,4-triazol-1-yl)benzonitrile
https://huagongshe.com/reaction/1664138
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
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| Edukt | Hydrochloric Acid | HCID 313 | — |
| Edukt | 4-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrile | HCID 21069880 | — |
| Edukt | (4-Fluoro-2-(1H-1,2,4-triazol-1-yl)phenyl)methanamine hydrochloride | HCID 21069882 | — |
| Katalysator | Palladium | HCID 23938 | — |
| Lösungsmittel | Ethanol | HCID 702 | — |
| Produkt | 2-fluoro-4-(1H-1,2,4-triazol-1-yl)benzonitrile | HCID 21069871 | 99% |
Reaktionsschritte
(4-Fluoro-2-(1H-1,2,4-triazol-1-yl)phenyl)methanamine hydrochloride). 4-Fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrile, (2.46 g, 13.13 mmol) was dissolved in hot ethanol (150 mL). To this was added 1N HCl (15 mL) followed by 10% Pd—C (200 mg). The mixture was treated with H2 at 55 psi for 4 h in a Parr shaker then filtered over Celite® and the solvent removed under reduced pressure. The resulting residue was partitioned between ethyl acetate and water. The aqueous phase was separated and lyophilized to afford the title compound as a white powder (2.96 g, 99% yield). 1H NMR (500 MHz, CD3OD) δ ppm: 9.51 (1H, s), 8.63 (1H, s), 7.85 (1H, dd, J==8.5, 5.8 Hz), 7.68 (1H, dd, J=8.8, 2.4 Hz), 7.49 (1H, td, J=8.3, 2.4 Hz), 4.20 (2H, s). LCMS (M+H) calcd for C9H10N4F: 193.08; found: 193.16.
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US08039458B2 |
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| Quelldatensatz | uspto-grants-2011_10 |
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| ORD ID | ord-f8affe811ce34fe7bca577661170ba49 |
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| Quellennotiz | uspto-grants-2011_10 |
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