HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2386830Generated: October 28, 2026
Sodium hydride → 6-[2-(2-Chloro-4-methoxy-phenyl)-acetyl]-7-fluoro-4-methyl-4H-benzo[1,4]oxazin-3-one
https://huagongshe.com/reaction/2386830
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | Ammonium Chloride | HCID 25517 | — |
| Reactant | 1,1'-Carbonyldiimidazole | HCID 68263 | — |
| Reactant | Methyl 2-(2-chloro-5-methoxyphenyl)acetate | HCID 15576550 | — |
| Reactant | 7-fluoro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid | HCID 66697266 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 6-[2-(2-Chloro-4-methoxy-phenyl)-acetyl]-7-fluoro-4-methyl-4H-benzo[1,4]oxazin-3-one | HCID 66697392 | 10.4% |
Reaction Steps
To a solution of 7-fluoro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid (Example 136, step 2, 1.98 g) in N,N-dimethylformamide (66 ml) was added 1,1′-carbonyldiimidazole (1.43 g). The mixture was stirred at 50° C. for 90 min. The mixture was cooled to −10° C. and (2-chloro-5-methoxy-phenyl)-acetic acid methyl ester (1.8 g) was added. Sodium hydride (60% dispersion in mineral oil, 1.12 g) was added portionwise over 30 min. The mixture was slowly warmed to room temperature and stirred for 4 h. The mixture was poured into ice water (135 ml) and saturated aqueous ammonium chloride solution (42 ml) and was extracted with ethyl acetate (5×). The organic phase was washed with brine, dried (MgSO4), filtered and concentrated to dryness. The residue was dissolved in dimethylsulfoxide (18 ml). NaCl (0.54 g) and water (0.23 ml) were added and the mixture was heated to 140° C. for 40 h. After cooling to room temperature, water was added and the mixture was extracted with ethyl acetate. The organic phase was washed with brine, dried (MgSO4), filtered and concentrated to dryness to give a light brown solid. The product was purified by chromatography (SiO2, CH2Cl2/MeOH 1:0=>95:5) to give the title compound as a light yellow solid (318 mg). MS (m/e)=364.1 [M+H+].
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08268820B2 |
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| Source dataset | uspto-grants-2012_09 |
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| ORD ID | ord-e06890fd41274cfd8423f74d3a512138 |
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| Source note | uspto-grants-2012_09 |
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