3′-Fluoro-4′-methoxyacetophenone (CAS 455-91-4) is a fluorinated acetophenone building block carrying both a fluorine and a methoxy group on the aromatic ring. Supplied by Ossila as an off-white powder with >98% purity, it serves as a starting material in drug discovery, medicinal chemistry and biochemistry research.
Its main role is in preparing chalcone derivatives: aldol condensation with benzaldehydes gives these α,β-unsaturated ketones, which find use as active pharmaceutical ingredients (APIs) and fluorescent dyes. Reacting the resulting chalcones with hydrazine derivatives leads to pyrazoles such as the anti-inflammatory drug celecoxib, while Juliá–Colonna epoxidation converts chalcones into epoxides.
The compound also takes part in the Mannich reaction with formaldehyde and secondary amines, giving β-amino-carbonyl compounds known as Mannich bases. Its several functional groups make it a convenient intermediate for straightforward synthesis.
- Synthesis of chalcone derivatives through aldol condensation with benzaldehydes.
- Preparation of pyrazole derivatives, such as celecoxib, from chalcones and hydrazine derivatives.
- Production of epoxides from chalcone derivatives via Juliá–Colonna epoxidation.
- Formation of β-amino-carbonyl compounds (Mannich bases) in the Mannich reaction with formaldehyde and secondary amines.
- Building block for drug discovery, medicinal chemistry and biochemistry research.
| Brand | Ossila |
|---|---|
| CAS number | 455-91-4 |
| Molecular formula | C9H9FO2 |
| Purity | 98% |
| Category | — |
| Pack sizes | 25 g |
| Physical form | Off-white powder |
| Storage | — |
- Product code: B2631
- Full Name: 1-(3-fluoro-4-methoxyphenyl)ethan-1-one
- Synonyms: 1-(3-Fluoro-4-methoxyphenyl)-1-ethanone
- Molecular Weight: 168.17 g/mol
- Classification / Family: Fluorinated building blocks, Acetophenone building blocks, Heterocycles, APIs
- Melting Point: 92 °C – 94 °C
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