HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 650569Generated: October 26, 2026
Acetic Acid → Methyl 2-{(3,4-difluorophenyl)methylene}-3-oxobutyrate
https://huagongshe.com/reaction/650569
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Methyl acetoacetate | HCID 7757 | — |
| Reactant | Piperidine | HCID 8082 | — |
| Reactant | 3,4-Difluorobenzaldehyde | HCID 588088 | — |
| Solvent | Benzene | HCID 241 | — |
| Product | Methyl 2-{(3,4-difluorophenyl)methylene}-3-oxobutyrate | HCID 54038767 | — |
Reaction Steps
A mixture of 3,4-difluorobenzaldehyde (14.2 g, 0.1 mol), methyl acetoacetate (12.2 g, 0.105 mol), piperidine (0.430 g, 5 mmol), and acetic acid (0.30 g, 5 mmol) in benzene (150 mL) was stirred and refluxed with a Dean-Stark trap for 8 hours. Benzene was evaporated, the residue was dissolved in ethyl acetate (200 mL) and washed with brine (50 mL), saturated potassium bisulfate solution (50 mL), and saturated sodium bicarbonate solution in sequence. The ethyl acetate solution was dried (magnesium sulfate), solvent removed under reduced pressure and the residue was purified by column chromatography (SiO2, EtOAc/hexane, 10%-15%). The product, methyl 2-{(3,4-difluorophenyl)methylene}-3-oxobutyrate, was obtained as a yellow oil (0.98 g, 98.3%) and was used in the next step without any further characterization.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06274585B1 |
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| Source dataset | uspto-grants-2001_08 |
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| ORD ID | ord-c8fb3bb16d0d4d89bbc3fc2e9c770216 |
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| Source note | uspto-grants-2001_08 |
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