CAS 842972-18-3

4-[(5-methyl-1H-tetrazol-1-yl)methyl]benzoic acid

Description:

4-[(5-methyl-1H-tetrazol-1-yl)methyl]benzoic acid, with the CAS number 842972-18-3, is an organic compound characterized by its unique structure that includes a benzoic acid moiety and a tetrazole ring. This compound features a carboxylic acid functional group, which contributes to its acidity and potential for forming salts or esters. The presence of the tetrazole ring, a five-membered heterocyclic structure containing four nitrogen atoms, imparts notable biological activity and may enhance the compound's solubility and reactivity. The methyl group on the tetrazole ring can influence the compound's steric and electronic properties, potentially affecting its interactions in biological systems. This compound may be of interest in pharmaceutical research due to its structural features, which could lead to applications in drug development or as a biochemical probe. Its solubility, stability, and reactivity would depend on the specific conditions, such as pH and solvent, making it a versatile candidate for various chemical applications.

Formula: C₁₀H₁₀N₄O₂

InChI: InChI=1/C10H10N4O2/c1-7-11-12-13-14(7)6-8-2-4-9(5-3-8)10(15)16/h2-5H,6H2,1H3,(H,15,16)

SMILES: Cc1nnnn1Cc1ccc(cc1)C(=O)O

Synonyms:

• benzoic acid, 4-[(5-methyl-1H-tetrazol-1-yl)methyl]-