CAS 99517-46-1

Methyl 5-bromo-7-benzofurancarboxylate

Description:

Methyl 5-bromo-7-benzofurancarboxylate is an organic compound characterized by its benzofuran structure, which is a fused ring system comprising a benzene ring and a furan ring. The presence of a bromine atom at the 5-position and a methoxycarbonyl group (methyl ester) at the 7-position contributes to its unique chemical properties. This compound is typically a solid at room temperature and is soluble in organic solvents such as dichloromethane and ethyl acetate, but may have limited solubility in water due to its hydrophobic nature. Methyl 5-bromo-7-benzofurancarboxylate is of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its potential reactivity and ability to serve as a building block for more complex molecules. Its bromine substituent can participate in various chemical reactions, including nucleophilic substitutions and cross-coupling reactions, making it a valuable intermediate in organic synthesis. Safety precautions should be observed when handling this compound, as with many halogenated organic substances.

Formula: C₁₀H₇BrO₃

InChI: InChI=1S/C10H7BrO3/c1-13-10(12)8-5-7(11)4-6-2-3-14-9(6)8/h2-5H,1H3

InChI key: InChIKey=KGDACVABVWKZHW-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C2C(=CC(Br)=C1)C=CO2

Synonyms:

• Methyl 5-bromo-7-benzofurancarboxylate
• 7-Benzofurancarboxylic acid, 5-bromo-, methyl ester