CAS 99199-61-8

2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, ethyl ester

Description:

2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, ethyl ester, commonly referred to in the context of its chemical structure, is a compound that belongs to the class of flavonoids, which are known for their diverse biological activities. This substance features a benzopyran core, characterized by a fused benzene and pyran ring, with a carboxylic acid functional group and an ethyl ester moiety. The presence of a fluorine atom at the 6-position contributes to its unique chemical properties, potentially influencing its reactivity and biological interactions. The compound may exhibit various pharmacological effects, including anti-inflammatory, antioxidant, and antimicrobial activities, making it of interest in medicinal chemistry and drug development. Its solubility, stability, and reactivity can be influenced by the esterification and fluorination, which may also affect its bioavailability and therapeutic efficacy. As with many organic compounds, proper handling and storage are essential to maintain its integrity and prevent degradation.

Formula: C₁₂H₁₃FO₃

InChI: InChI=1S/C12H13FO3/c1-2-15-12(14)11-5-3-8-7-9(13)4-6-10(8)16-11/h4,6-7,11H,2-3,5H2,1H3

InChI key: InChIKey=XLTYRVHHKJREDL-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1OC=2C(CC1)=CC(F)=CC2

Synonyms:

• Ethyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
• Ethyl 6-fluorochroman-2-carboxylate
• 2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, ethyl ester

rac-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic Acid Ethyl Ester

Controlled Product

CAS: 99199-61-8

Applications Intermediate in the production of Nebivolol

Formula: C₁₂H₁₃FO₃

Color and Shape: Neat

Molecular weight: 224.23

Ref: TR-F590995