5-Fluorobenzoxazole-2-thiol (CAS 13451-78-0), also called 5-fluoro-2-mercaptobenzoxazole, is a fluorinated heterocyclic building block supplied as an off-white powder with >97% purity. It carries both a thiol and a fluoride group on a benzoxazole core, a scaffold widely used in drug discovery, which makes it a practical intermediate for active pharmaceutical ingredients.
The thiol group takes part in nucleophilic substitution, giving access to derivatives with useful bioactivity. Reported work includes pyrrolidinamide-modified prodrugs active against Mycobacterium tuberculosis with a potency of 1.6 μM, and phenylhydrazide conjugates investigated as potential antiglioma anticancer agents.
The thiol can also be turned into an amine through straightforward microwave- or visible light-assisted amination, opening a route to 2-aminobenzoxazoles for organic synthesis and medicinal chemistry programmes.
- Intermediate for the synthesis of active pharmaceutical ingredients.
- Preparation of thioalkylbenzoxazole prodrugs against Mycobacterium tuberculosis.
- Coupling with phenylhydrazide derivatives to develop potential antiglioma agents.
- Microwave- or visible light-assisted amination to prepare 2-aminobenzoxazoles.
- General building block for drug discovery, medicinal chemistry and organic synthesis.
| Brand | Ossila |
|---|---|
| CAS number | 13451-78-0 |
| Molecular formula | C7H4FNOS |
| Purity | >97% |
| Category | — |
| Pack sizes | 500 mg, 1 g, 2 g, 5 g |
| Physical form | Off-white powder |
| Storage | — |
- Product code: B3421
- Full Name: 5-Fluoro-1,3-benzoxazole-2(3H)-thione
- Molecular Weight: 169.18 g/mol
- Synonyms: 2-Mercapto-5-fluorobenzoxazole, 5-Fluoro-2-mercaptobenzoxazole, 5-Fluoro-2(3H)-benzoxazolethiene
- Classification / Family: Fluorinated building blocks, Benzoxazole building blocks, Heterocyclic building blocks, APIs
- Melting Point: 238 °C – 240 °C
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