Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | 3,5-Heptanedione | HCID 81923 | — |
| Reactant | 2,6-Difluorobenzaldehyde | HCID 136284 | — |
| Catalyst | Piperidine | HCID 8082 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | HCID 21877054 | HCID 21877054 | 30.7% |
Reaction Steps
A mixture of 3,5-heptanedione (1.36 ml, 10 mmol), 2,6-difluorobenzaldehyde (1.08 ml, 10 mmol), piperidine (20 μL, 0.2 mmol), glacial acetic acid (149 μL, 2.6 mmol), molecular sieves and toluene (7 ml) was heated at 70° C., under a nitrogen atmosphere for 3 hours. Further 2,6-difluorobenzaldehyde (540 μL, 5 mmol) was added and the resulting mixture was stirred at 70° C. for a further 7 hours. After cooling, the molecular sieves were filtered off. The filtrate was concentrated under reduced pressure. The residue was partitioned between dichloromethane and water. The organic phase was dried over anhydrous magnesium sulphate, filtered and concentrated under reduced pressure. The crude material was purified by flash chromatography on silica gel eluting with pentane:dichloromethane (4:1, by volume) and then with a solvent gradient of pentane:diethylether (20:1, by volume) gradually changing to pentane:diethylether (10:1, by volume) to afford the title compound (775 mg) as a colourless oil.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06750230B2 |
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| Source dataset | uspto-grants-2004_06 |
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| ORD ID | ord-c3b0145fc16d4b77b9c14b60bd773bfe |
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| Source note | uspto-grants-2004_06 |
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