CAS 50397-65-4

Methyl 2-[(4-bromophenyl)sulfonyl]acetate

Description:

Methyl 2-[(4-bromophenyl)sulfonyl]acetate, with the CAS number 50397-65-4, is an organic compound characterized by its sulfonyl and ester functional groups. It features a methyl ester group attached to an acetyl moiety, which is further substituted with a 4-bromophenyl sulfonyl group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its reactivity, particularly in nucleophilic substitution reactions due to the presence of the sulfonyl group, which can enhance electrophilicity. Methyl 2-[(4-bromophenyl)sulfonyl]acetate is often utilized in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its properties include moderate solubility in organic solvents and limited solubility in water, which is common for many sulfonyl-containing compounds. Safety data should be consulted for handling, as it may pose health risks if inhaled or ingested. Overall, this compound serves as a valuable intermediate in various chemical reactions and applications.

Formula: C₉H₉BrO₄S

InChI: InChI=1S/C9H9BrO4S/c1-14-9(11)6-15(12,13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3

InChI key: InChIKey=CNEVNTZDQZVZGP-UHFFFAOYSA-N

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

Synonyms:

• Acetic acid, [(4-bromophenyl)sulfonyl]-, methyl ester
• Acetic acid, 2-[(4-bromophenyl)sulfonyl]-, methyl ester
• Methyl 2-[(4-bromophenyl)sulfonyl]acetate
• (4-Bromo-benzenesulfonyl)-acetic acid methyl ester
• [(4-Bromophenyl)sulfonyl]acetic acid methyl ester
• methyl 2-(4-bromobenzenesulfonyl)acetate
• (4-Bromophenylsulfonyl)acetic acid methyl ester

Methyl 2-(4-bromobenzenesulfonyl)acetate

CAS: 50397-65-4

Versatile small molecule scaffold

Formula: C₉H₉BrO₄S

Purity: Min. 95%

Molecular weight: 293.14 g/mol

Ref: 3D-ACA39765