2-Fluoro-5-methylbenzoic acid (CAS 321-12-0) from Ossila is a fluorinated benzoic acid building block used as an intermediate in the synthesis of active pharmaceutical ingredients. Also known as 6-fluoro-m-toluic acid, it is a meta-toluic acid carrying a fluorine substituent at the 2-position, supplied as a white powder with a purity above 97%.
Its carboxylic acid group makes amide formation straightforward, for example with HATU as the coupling reagent. Amide derivatives of this acid can undergo intramolecular nucleophilic aromatic substitution to give benzoxazepinones, a class of highly potent, mono-selective kinase inhibitors.
The compound has also been used to prepare pyrimidinone derivatives that selectively inhibit adenylyl cyclase 1 (AC1), a target in chronic pain research; the resulting product showed an inhibitory concentration against AC1 of 0.54 μM. With several functional groups available, it suits drug discovery, medicinal chemistry and biochemistry work.
- Intermediate for the synthesis of active pharmaceutical ingredients (APIs).
- Amidation via HATU coupling to build amide derivatives.
- Preparation of benzoxazepinone kinase inhibitors through intramolecular nucleophilic aromatic substitution.
- Synthesis of pyrimidinone derivatives for selective adenylyl cyclase 1 inhibition in chronic pain research.
- Building block for drug discovery, medicinal chemistry and biochemistry.
| Brand | Ossila |
|---|---|
| CAS number | 321-12-0 |
| Molecular formula | C8H7FO2 |
| Purity | >97% |
| Category | — |
| Pack sizes | 5 g, 10 g, 25 g, 50 g |
| Physical form | White powder |
| Storage | — |
- Product code: B3291
- Molecular Weight: 154.14 g/mol
- Synonyms: 3-Carboxy-4-fluorotoluene, 6-Fluoro-m-toluic acid
- Classification / Family: Fluorinated building blocks, Benzoic acid building blocks, APIs
- Melting Point: 160 °C – 162 °C
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