CAS 879559-55-4

8-Bromo-6-methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde

Description:

8-Bromo-6-methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde is a synthetic organic compound belonging to the class of benzopyran derivatives. This compound features a benzopyran core, characterized by a fused benzene and pyran ring, which contributes to its aromatic properties. The presence of a bromine atom at the 8-position and a methyl group at the 6-position introduces specific steric and electronic effects, influencing its reactivity and potential applications. The aldehyde functional group at the 3-position is significant for its reactivity, allowing for various chemical transformations, including condensation reactions. The keto group at the 4-position enhances the compound's stability and can participate in tautomeric equilibria. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its unique structure and functional groups suggest potential applications in organic synthesis, particularly in the development of novel pharmaceuticals or agrochemicals. As with many synthetic compounds, safety and handling precautions should be observed due to the presence of bromine and the reactivity of the aldehyde group.

Formula: C₁₁H₇BrO₃

InChI: InChI=1S/C11H7BrO3/c1-6-2-8-10(14)7(4-13)5-15-11(8)9(12)3-6/h2-5H,1H3

InChI key: InChIKey=VGVYSTVFILNSRJ-UHFFFAOYSA-N

SMILES: BrC1=C2C(C(=O)C(C=O)=CO2)=CC(C)=C1

Synonyms:

• 4H-1-Benzopyran-3-carboxaldehyde, 8-bromo-6-methyl-4-oxo-
• 8-Bromo-6-methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde