CAS 261924-48-5

Methyl 3-[(methylsulfonyl)methyl]benzoate

Description:

Methyl 3-[(methylsulfonyl)methyl]benzoate, with the CAS number 261924-48-5, is an organic compound characterized by its ester functional group and a methylsulfonyl substituent. This compound features a benzoate structure, where a methyl group is attached to the benzoic acid moiety, and a methylsulfonyl group is linked to the benzene ring at the 3-position. The presence of the methylsulfonyl group enhances its solubility in polar solvents and may impart unique reactivity, making it useful in various chemical applications. Methyl esters, in general, are known for their pleasant odors and are often used in flavoring and fragrance industries. Additionally, the compound may exhibit biological activity, which could be of interest in pharmaceutical research. Its molecular structure suggests potential interactions with biological systems, making it a candidate for further studies in medicinal chemistry. As with any chemical substance, safety data sheets should be consulted for handling and toxicity information.

Formula: C₁₀H₁₂O₄S

InChI: InChI=1S/C10H12O4S/c1-14-10(11)9-5-3-4-8(6-9)7-15(2,12)13/h3-6H,7H2,1-2H3

InChI key: InChIKey=IFCOWPDXFKPDGS-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC(CS(C)(=O)=O)=CC=C1

Synonyms:

• Benzoic acid, 3-[(methylsulfonyl)methyl]-, methyl ester
• Methyl 3-[(methylsulfonyl)methyl]benzoate

Methyl 3-(methanesulfonylmethyl)benzoate

CAS: 261924-48-5

Versatile small molecule scaffold

Formula: C₁₀H₁₂O₄S

Purity: Min. 95%

Molecular weight: 228.27 g/mol

Ref: 3D-LKA92448