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CAS 172168-01-3

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Ethyl 3,5-dichloro-β-oxobenzenepropanoate

Description:
Ethyl 3,5-dichloro-β-oxobenzenepropanoate, with the CAS number 172168-01-3, is a chemical compound characterized by its ester functional group and the presence of dichlorine substituents on the aromatic ring. This compound typically exhibits a moderate to high level of lipophilicity due to the presence of the ethyl ester and the aromatic system, which can influence its solubility in organic solvents. The dichloro substituents can enhance its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The β-oxobenzenepropanoate structure suggests that it may participate in reactions typical of both esters and aromatic compounds, such as acylation or electrophilic aromatic substitution. Additionally, the compound may exhibit biological activity, which could be of interest in pharmaceutical applications. Safety and handling precautions should be observed, as with many chlorinated compounds, due to potential toxicity and environmental concerns. Overall, this compound's unique structure positions it as a versatile intermediate in organic synthesis and medicinal chemistry.
Formula:C11H10Cl2O3
InChI:InChI=1S/C11H10Cl2O3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3
InChI key:InChIKey=XYMHCPKOFUYEPU-UHFFFAOYSA-N
SMILES:C(CC(OCC)=O)(=O)C1=CC(Cl)=CC(Cl)=C1
Synonyms:
  • Ethyl (3,5-dichlorobenzoyl)acetate
  • Ethyl 3,5-dichloro-β-oxobenzenepropanoate
  • Ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate
  • Benzenepropanoic acid, 3,5-dichloro-β-oxo-, ethyl ester
  • 3-(3,5-DICHLOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
  • 3-(3,5-Dichlorophenyl)-3-oxo-propionic acid ethyl este
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