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Product Code B3291-5g
Price £50 ex. VAT

A fluorinated benzoic acid building block

Serves as a synthesis intermediate for APIs

Specifications | MSDS | Literature and Reviews

2-Fluoro-5-methylbenzoic acid (CAS number 321-12-0), also known as 6-fluoro-m-toluic acid, is a meta-toluic acid with a fluoride substituent at the 2-position. The carboxylic acid group enables facile amidation with the use of hexafluorophosphate azabenzotriazole tetramethyl uronium (HATU). Benzoxazepinones, highly potent and monoselective kinase inhibitors, can be obtained from the corresponding 2-fluoro-5-methylbenzoic acid amide derivatives through an intramolecular nucleophilic aromatic substitution reaction.

2-Fluoro-5-methylbenzoic acid is also employed in the synthesis of pyrimidinone derivatives for the selective inhibition of adenylyl cyclase 1 (AC1) in the treatment of chronic pain. The resulting product exhibits an inhibitory concentration against AC1 of 0.54 μM.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated benzoic acid building block

Fluorinated benzoic acid building block

For drug discovery, medicinal chemistry, and biochemistry

competitively priced 321-12-0

Low Cost

Competitively priced, high quality product

High purity 321-12-0

High purity

>97% High purity

General Information

CAS Number 321-12-0
Chemical Formula C8H7FO2
Full Name 2-Fluoro-5-methylbenzoic acid
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

Chemical Structure

2-Fluoro-5-methylbenzoic acid chemical structure, CAS 321-12-0
2-Fluoro-5-methylbenzoic acid chemical structure, CAS 321-12-0

Product Details

Purity 97%
Melting Point Tm = 160 °C – 162 °C
Appearance White powder

MSDS Documentation

2-Fluoro-5-methylbenzoic acid2-Fluoro-5-methylbenzoic acid MSDS Sheet

Literature and Reviews

  1. DNA-encoded library screening identifies benzo[b][1,4]oxazepin-4-ones as highly potent and mono-selective receptor interacting protein 1 (RIP1) kinase inhibitors, P. Harris et al., J. Med. Chem., 59 (5), 2163–2178 (2016); DOI: 10.1021/acs.jmedchem.5b01898.
  2. Based-promoted chemodivergent formation of 1,4-benzoxazepin-5(4H)-ones and 1,3-benzoxazin-4(4H)-ones switched by solvents, Q. Chen et al., Molecules, 24, 3773 (2019); DOI: 10.3390/molecules24203773.
  3. Optimization of a pyrimidinone series for selective inhibition of Ca2+/calmodulin-stimulated adenylyl cyclase 1 activity for the treatment of chronic pain, J. Scott et al., J. Med. Chem., 65 (6), 4667–4686 (2022); DOI: 10.1021/acs.jmedchem.1c01759.
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