CAS 898753-74-7

Ethyl α,α-dimethyl-4-(methylthio)-γ-oxobenzenebutanoate

Description:

Ethyl α,α-dimethyl-4-(methylthio)-γ-oxobenzenebutanoate is an organic compound characterized by its complex structure, which includes an ester functional group, a ketone, and a thioether. The presence of the ethyl ester indicates that it is likely to be a liquid at room temperature, with potential solubility in organic solvents. The compound features a benzene ring substituted with a methylthio group, which can influence its reactivity and polarity. The α,α-dimethyl group contributes to steric hindrance, potentially affecting its interactions with other molecules. This compound may exhibit interesting biological activities due to its unique functional groups, making it a candidate for further research in medicinal chemistry or as a synthetic intermediate. Its CAS number, 898753-74-7, allows for easy identification in chemical databases. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards. Overall, this compound's structural features suggest a diverse range of chemical properties and potential applications.

Formula: C₁₅H₂₀O₃S

InChI: InChI=1S/C15H20O3S/c1-5-18-14(17)15(2,3)10-13(16)11-6-8-12(19-4)9-7-11/h6-9H,5,10H2,1-4H3

InChI key: InChIKey=DWRNVUCGRORFCU-UHFFFAOYSA-N

SMILES: C(CC(C(OCC)=O)(C)C)(=O)C1=CC=C(SC)C=C1

Synonyms:

• Ethyl α,α-dimethyl-4-(methylthio)-γ-oxobenzenebutanoate
• Benzenebutanoic acid, α,α-dimethyl-4-(methylthio)-γ-oxo-, ethyl ester