3,4,5-Trifluorobenzoic acid (CAS 121602-93-5) is a fluorinated benzoic acid building block supplied as white crystals with a purity above 98%. It carries fluorine atoms at the 3, 4 and 5 positions of the ring, meaning the two meta positions and the para position, and leaves both ortho positions free.
In transition metal catalysed C-H activation, the compound acts as a transient directing group. The electron-withdrawing fluorines tune the acidity of the carboxylic acid, while the open ortho positions avoid steric crowding. This combination supports the concerted metalation deprotonation step that activates the C-H bond and helps keep the catalytic cycle moving.
In medicinal chemistry, a salt of 3,4,5-trifluorobenzoic acid has been reported to raise the solubility and permeability of naftopidil, a drug used for benign prostatic hyperplasia. The acid also serves as a starting material for dibenzoate ester anticancer drug candidates. It suits organic synthesis, medicinal chemistry and biochemistry research.
- Transient directing group in transition metal catalysed C-H activation reactions.
- Reaction additive that assists concerted metalation deprotonation in catalytic cycles.
- Salt coformer for improving the solubility and permeability of naftopidil.
- Building block for dibenzoate ester type anticancer drug candidates.
- Fluorinated intermediate for organic synthesis and medicinal chemistry research.
| Brand | Ossila |
|---|---|
| CAS number | 121602-93-5 |
| Molecular formula | C7H3F3O2 |
| Purity | >98% |
| Category | — |
| Pack sizes | 5 g, 10 g, 25 g |
| Physical form | White crystals |
| Storage | — |
- Product code: B2511
- Molecular Weight: 176.09 g/mol
- Melting Point: 97 °C – 99 °C
- Classification / Family: Fluorinated building block, APIs, Transient directing groups, Reaction additives, C-H activation
—
—