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CAS 898752-55-1

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Ethyl 3-fluoro-4-methyl-γ-oxobenzenebutanoate

Description:
Ethyl 3-fluoro-4-methyl-γ-oxobenzenebutanoate, identified by its CAS number 898752-55-1, is an organic compound characterized by its ester functional group, which is typical of many compounds in the ester category. This substance features a benzene ring substituted with a fluorine atom and a methyl group, contributing to its unique chemical properties. The presence of the γ-oxobutanoate moiety indicates that it contains a ketone functional group adjacent to the ester, which can influence its reactivity and interactions with other molecules. Ethyl 3-fluoro-4-methyl-γ-oxobenzenebutanoate may exhibit moderate polarity due to the electronegative fluorine atom and the ester group, affecting its solubility in various solvents. Additionally, the compound's structure suggests potential applications in pharmaceuticals or agrochemicals, where such modifications can enhance biological activity or selectivity. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact would depend on further empirical studies.
Formula:C13H15FO3
InChI:InChI=1S/C13H15FO3/c1-3-17-13(16)7-6-12(15)10-5-4-9(2)11(14)8-10/h4-5,8H,3,6-7H2,1-2H3
InChI key:InChIKey=YLVFHPYTOIXPHY-UHFFFAOYSA-N
SMILES:C(CCC(OCC)=O)(=O)C1=CC(F)=C(C)C=C1
Synonyms:
  • Benzenebutanoic acid, 3-fluoro-4-methyl-γ-oxo-, ethyl ester
  • Ethyl 3-fluoro-4-methyl-γ-oxobenzenebutanoate
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