CAS 1350759-94-2

Benzoic acid, 2-bromo-5-ethoxy-4-methyl-, ethyl ester

Description:

Benzoic acid, 2-bromo-5-ethoxy-4-methyl-, ethyl ester, identified by its CAS number 1350759-94-2, is an organic compound that belongs to the class of benzoic acid derivatives. This substance features a benzoic acid core with various substituents, including a bromine atom and an ethoxy group, which contribute to its unique chemical properties. The presence of the ethyl ester functional group indicates that it can participate in esterification reactions, making it useful in organic synthesis. The bromine substituent can enhance the compound's reactivity, particularly in electrophilic aromatic substitution reactions. Additionally, the ethoxy and methyl groups can influence the compound's solubility and polarity, affecting its behavior in different solvents. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall structure, which can be further explored through experimental data or computational modeling.

Formula: C₁₂H₁₅BrO₃

InChI: InChI=1S/C12H15BrO3/c1-4-15-11-7-9(12(14)16-5-2)10(13)6-8(11)3/h6-7H,4-5H2,1-3H3

InChI key: InChIKey=IIGUGQIJQXUSRL-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(OCC)=C(C)C=C1Br

Synonyms:

• Ethyl 2-bromo-5-ethoxy-4-methylbenzoate
• Benzoic acid, 2-bromo-5-ethoxy-4-methyl-, ethyl ester