HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 59768Generated: October 27, 2026
Sodium hydride → 3-(5-Bromo-2-fluoro-phenyl)-1-o-tolyl-propan-1-one
https://huagongshe.com/reaction/59768
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | Methyl 3-(2-methylphenyl)-3-oxopropanoate | HCID 2760278 | — |
| Reactant | 4-Bromo-2-(bromomethyl)-1-fluorobenzene | HCID 13553295 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 3-(5-Bromo-2-fluoro-phenyl)-1-o-tolyl-propan-1-one | HCID 71292973 | 67.1% |
Reaction Steps
Sodium hydride (60% in oil, 2.1 g, 52 mmol) and methyl 3-oxo-3-o-tolylpropanoate (10 g, 52 mmol) were suspended in tetrahydrofuran and 4-bromo-2-(bromomethyl)-1-fluoro-benzene (15.3 g, 57 mmol) was added. After complete conversion, the mixture was quenched with ice and a saturated solution of ammonium chloride and extracted with n-heptane. The combined organic layers were washed once with a saturated solution of ammonium chloride, water and brine. The organic layer was dried over magnesium sulfate and evaporated to dryness. The obtained yellow oil was dissolved in 25 ml of acetic acid, 25 ml of concentrated hydrochloric acid and 20 ml of 1,4-dioxane and heated under reflux for 4 h until LC/MS showed consumption of the starting material. 50 ml of water and 100 ml of tert-butyl methyl ether were added and the product was extracted. The combined organic layers were washed once with saturated solution of ammonium chloride, water and brine. The organic layer was dried over magnesium sulfate and evaporated to dryness. The residue was purified by column chromatography (silica gel, heptane/ethyl acetate gradient) to give 11.2 g of 3-(5-bromo-2-fluoro-phenyl)-1-o-tolyl-propan-1-one as a colorless oil.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09440941B2 |
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| Source dataset | uspto-grants-2016_09 |
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| ORD ID | ord-d48c9b82c3244b939420779b9463ce7a |
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| Source note | uspto-grants-2016_09 |
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