2-Fluoro-5-nitrobenzonitrile (CAS 17417-09-3) is a fluorinated benzonitrile building block used as a molecular scaffold in drug discovery, medicinal chemistry and organic synthesis. The benzene ring carries three electron-withdrawing substituents: a fluorine atom, a nitrile group and a nitro group. Supplied by Ossila at >98% purity as a white to off-white powder.
Because the fluoro, nitrile and nitro groups each react differently, chemists can address them selectively without adding protecting groups. This makes the compound a flexible starting point for routes where functional groups are introduced to tune lipophilicity and binding affinity. Reaction with methyl thioglycolate gives anti-tumour benzothiophene derivatives in 93% yield, and the scaffold also leads to pyrroloquinoline and quinoline derivatives.
The nitro and nitrile groups sit meta to each other, a geometry that allows the molecule to be used in building macrocycles, including structures explored as coagulation factor VIIa inhibitors.
- Synthesis of anti-tumour benzothiophene derivatives via reaction with methyl thioglycolate.
- Preparation of 3-aminobenzo[b]thiophene scaffolds for kinase inhibitor research.
- Synthesis of pyrroloquinoline and quinoline derivatives.
- Construction of macrocycles, such as macrocyclic coagulation factor VIIa inhibitors.
- General use as a fluorinated building block for APIs and macromolecules in medicinal chemistry.
| Brand | Ossila |
|---|---|
| CAS number | 17417-09-3 |
| Molecular formula | C7H3FN2O2 |
| Purity | >98% |
| Category | — |
| Pack sizes | 10 g, 25 g, 50 g |
| Physical form | White to off-white powder |
| Storage | — |
- Product code: B2371
- Molecular Weight: 166.11 g/mol
- Synonyms: 3-Cyano-4-fluoronitrobenzene, 5-Nitro-2-fluorobenzonitrile
- Classification / Family: Fluorinated building block, Molecular scaffold, APIs, Macromolecules, Macrocycles
- Melting Point: 76 – 80 °C
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