CAS 1356089-42-3

3-[[(1E)-2-Cyanoethenyl]sulfonyl]-α,α-dimethylbenzeneacetic acid

Description:

3-[[(1E)-2-Cyanoethenyl]sulfonyl]-α,α-dimethylbenzeneacetic acid, with CAS number 1356089-42-3, is a chemical compound characterized by its complex structure, which includes a cyano group, a sulfonyl moiety, and an acetic acid functional group. This compound features a dimethyl-substituted benzene ring, contributing to its hydrophobic characteristics, while the presence of the cyano and sulfonyl groups introduces polar functionalities that can enhance solubility in polar solvents. The compound may exhibit interesting biological activities due to its structural features, making it a candidate for research in medicinal chemistry. Its synthesis typically involves multi-step organic reactions, and it may be utilized in various applications, including pharmaceuticals and agrochemicals. The stability and reactivity of this compound can be influenced by environmental factors such as pH and temperature, which are important considerations in its handling and application. Overall, this compound represents a unique combination of functional groups that may impart specific chemical properties and potential utility in various fields.

Formula: C₁₃H₁₃NO₄S

InChI: InChI=1S/C13H13NO4S/c1-13(2,12(15)16)10-5-3-6-11(9-10)19(17,18)8-4-7-14/h3-6,8-9H,1-2H3,(H,15,16)/b8-4+

InChI key: InChIKey=AYVOLEZTKKRYJI-XBXARRHUSA-N

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

Synonyms:

• Benzeneacetic acid, 3-[[(1E)-2-cyanoethenyl]sulfonyl]-α,α-dimethyl-
• 3-[[(1E)-2-Cyanoethenyl]sulfonyl]-α,α-dimethylbenzeneacetic acid