HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 1372245Erstellt: 26. Oktober 2026
Hydrochloric Acid → 2-fluoro-4-(1H-1,2,4-triazol-1-yl)benzonitrile
https://huagongshe.com/reaction/1372245
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). Intermediate 67, 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 | US07157447B2 |
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| Quelldatensatz | uspto-grants-2007_01 |
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| ORD ID | ord-7c8b0a5a6d7c4b58b03b8dab16262f84 |
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| Quellennotiz | uspto-grants-2007_01 |
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