CAS 80547-77-9

3,4-Dimethoxy-5-methylbenzoic acid

Description:

3,4-Dimethoxy-5-methylbenzoic acid is an aromatic carboxylic acid characterized by the presence of two methoxy groups and a methyl group on a benzoic acid framework. Its molecular structure features a benzene ring substituted at the 3 and 4 positions with methoxy (-OCH3) groups and at the 5 position with a methyl (-CH3) group, along with a carboxylic acid (-COOH) functional group. This compound is typically a white to off-white solid and is soluble in organic solvents, with limited solubility in water due to its hydrophobic aromatic structure. It exhibits properties typical of benzoic acids, such as acidity and the ability to participate in various chemical reactions, including esterification and acylation. The presence of methoxy groups can influence its reactivity and polarity, making it a useful intermediate in organic synthesis and potentially in pharmaceuticals. Additionally, its unique structure may impart specific biological activities, warranting further investigation in medicinal chemistry.

Formula: C₁₀H₁₂O₄

InChI: InChI=1S/C10H12O4/c1-6-4-7(10(11)12)5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H,11,12)

InChI key: InChIKey=MAXXOQSMNKFVRB-UHFFFAOYSA-N

SMILES: O(C)C1=C(OC)C=C(C(O)=O)C=C1C

Synonyms:

• 3-Methyl-4,5-dimethoxybenzoic acid
• 3,4-Dimethoxy-5-methylbenzoic acid
• Veratric acid, 5-methyl-
• Benzoic acid, 3,4-dimethoxy-5-methyl-