2-Fluoro-5-formylbenzonitrile
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Molecular formula
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Chemical Product Description & Applications
2-Fluoro-5-formylbenzonitrile is an aromatic aldehyde used to assemble fluorinated carbon-linked intermediates. Its formyl group participates in olefination or condensation, while the nitrile provides a carboxyl precursor that can be converted at a later stage. This allows carbon-framework construction to proceed before introducing an acid or amide group.
The selected material contains a nitrile rather than a free carboxylic acid. In olaparib-related routes, aldehyde elaboration establishes the aromatic connection needed for the phthalazinone scaffold. The nitrile remains available for later hydrolysis once the desired ring system has been built. The fluorine fixes the substitution relationship between the carbonyl-derived side chain and the eventual carboxyl functionality.
Typical Applications
- Benzylidene-phthalide intermediates: Used as the aldehyde partner in olefination with a phosphonate-bearing phthalide reagent, assembling an unsaturated lactone intermediate for subsequent phthalazinone construction.
- Fluorinated benzylamine building blocks: Used in reductive-amination chemistry to introduce an amine-bearing side chain while retaining the benzonitrile as a separate handle for later acid or amide conversion.
Specifications
| Parameter | Specification | Test Method |
|---|---|---|
| Appearance | Solid; color consistent with the reference sample | Visual inspection |
| Identification | Consistent with authenticated reference | FTIR fingerprint comparison |
| Chromatographic purity | ≥98.0 area% | HPLC with suitable UV or CAD detection |
| Total organic impurities | ≤2.0 area% | HPLC, area normalization |
| Largest individual impurity | ≤1.0 area% | HPLC, area normalization |
| Water | ≤1.0% w/w | Karl Fischer titration |
Specifications describe the standard grade. Tolerance, test method and documentation package are confirmed per order.
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