CAS 1154060-99-7

Methyl 4-bromo-3-(1-methylethoxy)benzoate

Description:

Methyl 4-bromo-3-(1-methylethoxy)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. The presence of a bromine atom at the para position and a branched alkoxy group (1-methylethoxy) at the meta position on the aromatic ring contributes to its unique chemical properties. This compound is typically a colorless to pale yellow liquid with a distinctive odor, and it is soluble in organic solvents such as ethanol and acetone, but less soluble in water due to its hydrophobic aromatic structure. The bromine substituent can enhance the compound's reactivity in electrophilic aromatic substitution reactions, while the ester group can participate in hydrolysis and transesterification reactions. Methyl 4-bromo-3-(1-methylethoxy)benzoate may be used in various applications, including as an intermediate in organic synthesis and in the development of pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks.

Formula: C₁₁H₁₃BrO₃

InChI: InChI=1S/C11H13BrO3/c1-7(2)15-10-6-8(11(13)14-3)4-5-9(10)12/h4-7H,1-3H3

InChI key: InChIKey=JDZLGDXYRFWYHO-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 4-bromo-3-(1-methylethoxy)-, methyl ester
• Methyl 4-bromo-3-(1-methylethoxy)benzoate