CAS 1346608-66-9

2-Methyl-4-[(1-methylethyl)sulfonyl]benzoic acid

Description:

2-Methyl-4-[(1-methylethyl)sulfonyl]benzoic acid, identified by its CAS number 1346608-66-9, is an organic compound characterized by its benzoic acid structure with specific substituents. It features a methyl group and a sulfonyl group attached to the benzene ring, which influences its chemical reactivity and solubility. The presence of the sulfonyl group typically enhances the compound's polarity, potentially affecting its interactions in biological systems and its solubility in various solvents. This compound may exhibit acidic properties due to the carboxylic acid functional group, allowing it to participate in acid-base reactions. Additionally, the branched alkyl group (isopropyl) contributes to its steric hindrance, which can influence its reactivity and interactions with other molecules. Such characteristics make it of interest in various fields, including pharmaceuticals and agrochemicals, where it may serve as an intermediate or active ingredient. Overall, the unique structural features of 2-Methyl-4-[(1-methylethyl)sulfonyl]benzoic acid contribute to its potential applications and biological activity.

Formula: C₁₁H₁₄O₄S

InChI: InChI=1S/C11H14O4S/c1-7(2)16(14,15)9-4-5-10(11(12)13)8(3)6-9/h4-7H,1-3H3,(H,12,13)

InChI key: InChIKey=STBBIBZTZBCGGC-UHFFFAOYSA-N

SMILES: S(C(C)C)(=O)(=O)C1=CC(C)=C(C(O)=O)C=C1

Synonyms:

• 2-Methyl-4-[(1-methylethyl)sulfonyl]benzoic acid
• Benzoic acid, 2-methyl-4-[(1-methylethyl)sulfonyl]-
• 4-(Isopropylsulfonyl)-2-methylbenzoic acid