CAS 951889-77-3

Ethyl 4-chloro-2-methyl-δ-oxobenzenepentanoate

Description:

Ethyl 4-chloro-2-methyl-δ-oxobenzenepentanoate, identified by its CAS number 951889-77-3, is an organic compound characterized by its ester functional group, which is typical of many compounds in the ester category. This substance features a chloro substituent and a methyl group on a benzene ring, contributing to its unique chemical properties. The presence of the δ-oxobenzene moiety indicates that it contains a ketone functional group adjacent to the aromatic system, which can influence its reactivity and stability. Ethyl esters generally exhibit moderate volatility and solubility in organic solvents, making them useful in various applications, including synthesis and as intermediates in organic chemistry. The compound's structure suggests potential biological activity, which may be explored in pharmaceutical contexts. However, specific data regarding its physical properties, such as boiling point, melting point, and solubility, would require empirical measurement or literature reference for precise characterization. Overall, this compound exemplifies the complexity and diversity found within organic chemistry.

Formula: C₁₄H₁₇ClO₃

InChI: InChI=1S/C14H17ClO3/c1-3-18-14(17)6-4-5-13(16)12-8-7-11(15)9-10(12)2/h7-9H,3-6H2,1-2H3

InChI key: InChIKey=JULVTBIKDWOOTB-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 4-chloro-2-methyl-δ-oxobenzenepentanoate
• Benzenepentanoic acid, 4-chloro-2-methyl-δ-oxo-, ethyl ester