HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 971270Generated: October 30, 2026
Water → Methyl 4-(3-fluorophenyl)-4-oxobutanoate
https://huagongshe.com/reaction/971270
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Methyl Acrylate | HCID 7294 | — |
| Reactant | Potassium Cyanide | HCID 9032 | — |
| Reactant | 3-Fluorobenzaldehyde | HCID 68009 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | Methyl 4-(3-fluorophenyl)-4-oxobutanoate | HCID 12465650 | 85% |
Reaction Steps
A solution of 3-fluorobenzaldehyde (35.38 g, 285.07 mmol) in 35 mL dimethylformamide (DMF) was added to a heated (48° C.) solution of methyl acrylate (26.28 mL, 25.03 g, 290.7 mmol) and powdered KCN under Argon. The reaction mixture was stirred at 40° C. for 2 hours and then poured into 500 mL of water. This aqueous phase was extracted twice with 500 mL of Et2O and once with 250 mL of EtOAc. The combined organic layers were washed with water and saturated brine, and then dried over MgSO4. The solvent was evaporated under reduced pressure to give 50.89 g (242.2 mmol, 84.93%) of 4-(3-fluoro-phenyl)-4-oxo-butyric acid methyl ester as an oil. MS: 211 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07312359B2 |
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| Source dataset | uspto-grants-2007_12 |
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| ORD ID | ord-df4475fd482640008ed502f3a0eebacf |
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| Source note | uspto-grants-2007_12 |
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