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CAS 898752-61-9

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

Description:
Ethyl 4-fluoro-3-methyl-γ-oxobenzenebutanoate, with the CAS number 898752-61-9, is an organic compound characterized by its ester functional group and a substituted aromatic ring. This compound features a fluoro group and a methyl group on the benzene ring, 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 4-fluoro-3-methyl-γ-oxobenzenebutanoate is likely to exhibit moderate polarity due to the ester and ketone functionalities, affecting its solubility in various solvents. Additionally, the fluorine atom can impart distinct electronic properties, potentially enhancing its reactivity in certain chemical reactions. This compound may be of interest in pharmaceutical research and development, particularly in the synthesis of biologically active molecules or as an intermediate in organic synthesis. However, specific safety and handling guidelines should be followed, as with all chemical substances.
Formula:C13H15FO3
InChI:InChI=1S/C13H15FO3/c1-3-17-13(16)7-6-12(15)10-4-5-11(14)9(2)8-10/h4-5,8H,3,6-7H2,1-2H3
InChI key:InChIKey=JLCSMNIIZRHFAM-UHFFFAOYSA-N
SMILES:C(CCC(OCC)=O)(=O)C1=CC(C)=C(F)C=C1
Synonyms:
  • Ethyl 4-fluoro-3-methyl-γ-oxobenzenebutanoate
  • Benzenebutanoic acid, 4-fluoro-3-methyl-γ-oxo-, ethyl ester
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