CAS 951888-16-7

Ethyl 3-cyano-4-fluoro-α-oxobenzeneacetate

Description:

Ethyl 3-cyano-4-fluoro-α-oxobenzeneacetate, identified by its CAS number 951888-16-7, is a chemical compound that features a complex structure characterized by the presence of a cyano group, a fluoro substituent, and an ester functional group. This compound typically exhibits a pale to light yellow appearance and is soluble in organic solvents, which is common for many esters. The cyano group contributes to its reactivity, making it useful in various synthetic applications, particularly in organic synthesis and medicinal chemistry. The fluoro substituent can enhance the compound's biological activity and lipophilicity, potentially influencing its pharmacokinetic properties. Ethyl 3-cyano-4-fluoro-α-oxobenzeneacetate may also exhibit interesting electronic properties due to the electron-withdrawing nature of the cyano and fluoro groups, which can affect its reactivity and interactions with other molecules. Overall, this compound is of interest in research and development, particularly in the fields of pharmaceuticals and agrochemicals.

Formula: C₁₁H₈FNO₃

InChI: InChI=1S/C11H8FNO3/c1-2-16-11(15)10(14)7-3-4-9(12)8(5-7)6-13/h3-5H,2H2,1H3

InChI key: InChIKey=QNJPUDZNWBSRKY-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3-cyano-4-fluoro-α-oxobenzeneacetate
• Benzeneacetic acid, 3-cyano-4-fluoro-α-oxo-, ethyl ester
• ethyl 2-(3-cyano-4-fluorophenyl)-2-oxoacetate
• ETHYL 3-CYANO-4-FLUOROBENZOYLFORMATE