CAS 898777-95-2

Ethyl 2,4-dichloro-γ-oxobenzenebutanoate

Description:

Ethyl 2,4-dichloro-γ-oxobenzenebutanoate, with the CAS number 898777-95-2, is an organic compound characterized by its ester functional group and the presence of dichloro substituents on the aromatic ring. This compound features a butanoate chain, which contributes to its ester properties, making it potentially useful in various chemical reactions and applications. The dichloro groups enhance its reactivity and may influence its biological activity, making it of interest in medicinal chemistry and agrochemical research. The presence of the γ-oxo group indicates that it may participate in condensation reactions or serve as a precursor for further synthetic modifications. Ethyl 2,4-dichloro-γ-oxobenzenebutanoate is likely to be a solid or liquid at room temperature, depending on its molecular structure and intermolecular interactions. Its solubility in organic solvents and stability under various conditions would be important characteristics to consider for practical applications. As with many chlorinated compounds, it is essential to handle it with care due to potential toxicity and environmental concerns.

Formula: C₁₂H₁₂Cl₂O₃

InChI: InChI=1S/C12H12Cl2O3/c1-2-17-12(16)6-5-11(15)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3

InChI key: InChIKey=DIQWWFOXDFKXPL-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)(=O)C1=C(Cl)C=C(Cl)C=C1

Synonyms:

• Ethyl 4-(2,4-dichlorophenyl)-4-oxobutanoate
• Ethyl 2,4-dichloro-γ-oxobenzenebutanoate
• Benzenebutanoic acid, 2,4-dichloro-γ-oxo-, ethyl ester