CAS 7028-71-9

Ethyl 4-(ethylthio)-γ-oxobenzenebutanoate

Description:

Ethyl 4-(ethylthio)-γ-oxobenzenebutanoate, with the CAS number 7028-71-9, is an organic compound characterized by its ester functional group and a complex aromatic structure. This compound features an ethylthio group, which contributes to its unique chemical properties, including potential reactivity and solubility characteristics. The presence of the γ-oxobenzenebutanoate moiety indicates that it contains a ketone functional group adjacent to a benzene ring, which can influence its reactivity in various chemical reactions, such as nucleophilic additions or condensation reactions. Ethyl 4-(ethylthio)-γ-oxobenzenebutanoate may exhibit moderate to high lipophilicity due to its hydrophobic aromatic components, making it potentially useful in organic synthesis and pharmaceutical applications. Additionally, its structural features suggest that it could participate in various chemical transformations, including those relevant to medicinal chemistry. However, specific physical properties such as boiling point, melting point, and solubility would need to be referenced from experimental data or literature for precise applications and handling guidelines.

Formula: C₁₄H₁₈O₃S

InChI: InChI=1S/C14H18O3S/c1-3-17-14(16)10-9-13(15)11-5-7-12(8-6-11)18-4-2/h5-8H,3-4,9-10H2,1-2H3

InChI key: InChIKey=PYYLBBLUGIWBDJ-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)(=O)C1=CC=C(SCC)C=C1

Synonyms:

• Benzenebutanoic acid, 4-(ethylthio)-γ-oxo-, ethyl ester
• Propionic acid, 3-[p-(ethylthio)benzoyl]-, ethyl ester
• Ethyl 4-(ethylthio)-γ-oxobenzenebutanoate