CAS 951887-98-2

Ethyl 5-chloro-2-methoxy-α-oxobenzeneacetate

Description:

Ethyl 5-chloro-2-methoxy-α-oxobenzeneacetate, identified by its CAS number 951887-98-2, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a chloro substituent and a methoxy group on a benzene ring, contributing to its unique chemical properties. The presence of the α-oxobenzeneacetate moiety indicates that it contains a ketone functional group adjacent to the ester, which can influence its reactivity and interactions with other chemical species. Ethyl 5-chloro-2-methoxy-α-oxobenzeneacetate may exhibit moderate to high lipophilicity due to its aromatic structure, potentially affecting its solubility in organic solvents. Additionally, the chlorine atom can introduce specific reactivity patterns, making it a candidate for various synthetic applications in organic chemistry. Overall, this compound's structural features suggest it may be of interest in medicinal chemistry and material science, although specific applications would depend on further research and characterization.

Formula: C₁₁H₁₁ClO₄

InChI: InChI=1S/C11H11ClO4/c1-3-16-11(14)10(13)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3

InChI key: InChIKey=TYJGCFNKZHJLMB-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(=O)C1=C(OC)C=CC(Cl)=C1

Synonyms:

• Ethyl 5-chloro-2-methoxy-α-oxobenzeneacetate
• Benzeneacetic acid, 5-chloro-2-methoxy-α-oxo-, ethyl ester