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CAS 951889-73-9

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Ethyl 4-chloro-2-methyl-γ-oxobenzenebutanoate

Description:
Ethyl 4-chloro-2-methyl-γ-oxobenzenebutanoate, identified by its CAS number 951889-73-9, 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 on the aromatic ring, contributing to its reactivity and potential applications in organic synthesis. The presence of a γ-oxobutanoate moiety indicates that it has a ketone functional group adjacent to the ester, which can influence its chemical behavior, including its reactivity in nucleophilic addition reactions. The methyl group on the aromatic ring can affect the compound's sterics and electronic properties, potentially enhancing its lipophilicity. Ethyl 4-chloro-2-methyl-γ-oxobenzenebutanoate may be of interest in medicinal chemistry and material science due to its structural features, which could lead to the development of novel pharmaceuticals or agrochemicals. As with many organic compounds, safety and handling precautions should be observed, as the presence of chlorine can indicate potential toxicity or environmental concerns.
Formula:C13H15ClO3
InChI:InChI=1S/C13H15ClO3/c1-3-17-13(16)7-6-12(15)11-5-4-10(14)8-9(11)2/h4-5,8H,3,6-7H2,1-2H3
InChI key:InChIKey=WQNPJRKEYAURRP-UHFFFAOYSA-N
SMILES:C(CCC(OCC)=O)(=O)C1=C(C)C=C(Cl)C=C1
Synonyms:
  • Ethyl 4-chloro-2-methyl-γ-oxobenzenebutanoate
  • Benzenebutanoic acid, 4-chloro-2-methyl-γ-oxo-, ethyl ester
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