CAS 861206-27-1

Methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzoate

Description:

Methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzoate, identified by its CAS number 861206-27-1, is an organic compound characterized by its complex structure, which includes a benzoate moiety substituted with a bromine atom, a methoxy group, and a pyrrole ring. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for electrophilic substitution reactions. The presence of the bromine atom enhances its reactivity, making it a useful intermediate in organic synthesis. The methoxy group contributes to its solubility in organic solvents and may influence its electronic properties, while the pyrrole ring can participate in various chemical reactions due to its nitrogen atom. Methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzoate may also exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its specific applications and reactivity can vary based on the conditions under which it is used, including solvent, temperature, and the presence of catalysts.

Formula: C₁₃H₁₂BrNO₃

InChI: InChI=1S/C13H12BrNO3/c1-17-12-8-11(15-5-3-4-6-15)10(14)7-9(12)13(16)18-2/h3-8H,1-2H3

InChI key: InChIKey=QIPADBHCCFKQEQ-UHFFFAOYSA-N

SMILES: BrC=1C(=CC(OC)=C(C(OC)=O)C1)N2C=CC=C2

Synonyms:

• Benzoic acid, 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)-, methyl ester
• Methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzoate