CAS 898778-17-1

Ethyl 2,5-dichloro-ζ-oxobenzeneheptanoate

Description:

Ethyl 2,5-dichloro-ζ-oxobenzeneheptanoate, with the CAS number 898778-17-1, is a chemical compound that belongs to the class of esters. It features a benzene ring substituted with two chlorine atoms at the 2 and 5 positions, contributing to its reactivity and potential biological activity. The presence of the heptanoate chain indicates that it has a relatively long carbon chain, which can influence its solubility and lipophilicity. The "oxobenzene" part of the name suggests the presence of a carbonyl group adjacent to the benzene ring, which can enhance its electrophilic character. This compound may exhibit interesting properties such as potential antimicrobial or antifungal activity due to the halogen substituents. Its ester functional group can also make it susceptible to hydrolysis under certain conditions. Overall, the unique combination of functional groups in Ethyl 2,5-dichloro-ζ-oxobenzeneheptanoate may lead to diverse applications in organic synthesis, pharmaceuticals, or agrochemicals, although specific applications would depend on further research and characterization.

Formula: C₁₅H₁₈Cl₂O₃

InChI: InChI=1S/C15H18Cl2O3/c1-2-20-15(19)7-5-3-4-6-14(18)12-10-11(16)8-9-13(12)17/h8-10H,2-7H2,1H3

InChI key: InChIKey=UADLQOZRKQMNMB-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 2,5-dichloro-ζ-oxobenzeneheptanoate
• Benzeneheptanoic acid, 2,5-dichloro-ζ-oxo-, ethyl ester