CAS 300700-05-4

2-[[(4-Cyanophenyl)methyl]sulfonyl]acetic acid

Description:

2-[[(4-Cyanophenyl)methyl]sulfonyl]acetic acid is an organic compound characterized by its sulfonyl and carboxylic acid functional groups. The presence of the cyanophenyl moiety suggests it has potential applications in pharmaceuticals or as an intermediate in organic synthesis. This compound typically exhibits moderate solubility in polar solvents due to the carboxylic acid group, while the sulfonyl group can enhance its reactivity and interaction with biological targets. The molecular structure indicates that it may participate in hydrogen bonding, influencing its physical properties such as melting point and boiling point. Additionally, the presence of the cyano group may impart unique electronic properties, making it a candidate for various chemical reactions, including nucleophilic substitutions or coupling reactions. Overall, the characteristics of this compound suggest it could be of interest in medicinal chemistry and materials science, although specific reactivity and stability would depend on the surrounding conditions and the presence of other functional groups.

Formula: C₁₀H₉NO₄S

InChI: InChI=1S/C10H9NO4S/c11-5-8-1-3-9(4-2-8)6-16(14,15)7-10(12)13/h1-4H,6-7H2,(H,12,13)

InChI key: InChIKey=DGZLPEXTGJUEHL-UHFFFAOYSA-N

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

Synonyms:

• Acetic acid, [[(4-cyanophenyl)methyl]sulfonyl]-
• 2-[[(4-Cyanophenyl)methyl]sulfonyl]acetic acid
• 2-[(4-Cyanophenyl)methanesulfonyl]acetic acid
• Acetic acid, 2-[[(4-cyanophenyl)methyl]sulfonyl]-
• 4-Cyanobenzylsulfonylacetic acid

2-[(4-Cyanophenyl)methanesulfonyl]acetic acid

CAS: 300700-05-4

Versatile small molecule scaffold

Formula: C₁₀H₉NO₄S

Purity: Min. 95%

Molecular weight: 239.25 g/mol

Ref: 3D-AMA70005