CAS 898752-64-2

Ethyl 4-fluoro-3-methyl-δ-oxobenzenepentanoate

Description:

Ethyl 4-fluoro-3-methyl-δ-oxobenzenepentanoate, identified by its CAS number 898752-64-2, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a fluoro-substituted aromatic ring, which contributes to its unique chemical properties, including potential reactivity and solubility characteristics. The presence of the δ-oxobenzene moiety indicates that it contains a ketone functional group adjacent to the aromatic system, which can influence its reactivity and stability. The ethyl ester group suggests that it may exhibit moderate volatility and solubility in organic solvents. Additionally, the methyl group on the aromatic ring can affect steric hindrance and electronic distribution, potentially impacting its interactions in chemical reactions. Overall, this compound may have applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, although specific applications would depend on further research into its biological activity and reactivity.

Formula: C₁₄H₁₇FO₃

InChI: InChI=1S/C14H17FO3/c1-3-18-14(17)6-4-5-13(16)11-7-8-12(15)10(2)9-11/h7-9H,3-6H2,1-2H3

InChI key: InChIKey=YTZSPFBANZATAA-UHFFFAOYSA-N

SMILES: C(CCCC(OCC)=O)(=O)C1=CC(C)=C(F)C=C1

Synonyms:

• Benzenepentanoic acid, 4-fluoro-3-methyl-δ-oxo-, ethyl ester
• Ethyl 4-fluoro-3-methyl-δ-oxobenzenepentanoate