HuagongsheHuagongshe Chemistry Print Report · For research reference only
Hydrochloric Acid → 3-(4-Chlorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Sodium Hydroxide | HCID 14798 | — |
| Reactant | 5-(4-Chlorophenyl)-4-(pyridin-4-yl)isoxazole | HCID 22037456 | — |
| Product | 3-(4-Chlorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile | HCID 22037477 | 97.5% |
Reaction Steps
A solution of 5-(4-chlorophenyl)-4-(pyridin-4-yl)isoxazole (20.5 g, 79.9 mmol) and 150 mL of a 1N sodium hydroxide solution was stirred at 60° C. for 1 hour. The reaction mixture was cooled to room temperature and adjusted to pH 6 with concentrated hydrochloric acid. The precipitates were filtered, washed with water and ethanol, and dried to give 3-(4-chlorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile (20.0 g, quantitative yield). m.p. 225.4-234.9° C. 1H NMR (CDCl3/CD3OD/300 MHz) δ 8.12 (brs, 2H), 7.73-7.59 (m, 5H), 7.30 (d, 3H). ESLRMS m/z 257 (M+H). ESHRMS m/z 257.0481 (M+H, C14H9N20Cl requires 257.0482).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06617324B1 |
| Source dataset | uspto-grants-2003_09 |
| ORD ID | ord-eb743beacc9a46599ad19cd296ddd8dd |
| Source note | uspto-grants-2003_09 |