CAS 94139-03-4

Ethyl 3-fluoro-4-hydroxybenzenepropanoate

Description:

Ethyl 3-fluoro-4-hydroxybenzenepropanoate, identified by its CAS number 94139-03-4, is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a propanoate moiety linked to a substituted phenolic ring, specifically with a fluorine atom at the 3-position and a hydroxyl group at the 4-position of the benzene ring. The presence of the fluorine atom can influence the compound's reactivity and polarity, while the hydroxyl group contributes to its potential for hydrogen bonding. Ethyl 3-fluoro-4-hydroxybenzenepropanoate may exhibit properties such as moderate solubility in organic solvents and varying stability depending on environmental conditions. Its unique structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. However, specific physical and chemical properties such as boiling point, melting point, and reactivity would require empirical data for precise characterization.

Formula: C₁₁H₁₃FO₃

InChI: InChI=1S/C11H13FO3/c1-2-15-11(14)6-4-8-3-5-10(13)9(12)7-8/h3,5,7,13H,2,4,6H2,1H3

InChI key: InChIKey=NZRVUWDDVNJOHS-UHFFFAOYSA-N

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

Synonyms:

• Benzenepropanoic acid, 3-fluoro-4-hydroxy-, ethyl ester
• Ethyl 3-(3-Fluoro-4-Hydroxyphenyl)Propanoate
• Ethyl 3-fluoro-4-hydroxybenzenepropanoate