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CAS 318528-55-1

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

Description:
Methyl 3-bromo-4-(1-methylethyl)benzoate is an organic compound characterized by its aromatic structure, which includes a bromine substituent and an isopropyl group attached to a benzoate moiety. The presence of the bromine atom introduces notable reactivity, making it a potential candidate for various chemical reactions, such as nucleophilic substitutions or coupling reactions. The ester functional group (benzoate) contributes to its solubility in organic solvents and its potential use in synthesis and as an intermediate in organic chemistry. The isopropyl group enhances the steric bulk around the aromatic ring, which can influence the compound's reactivity and interaction with other molecules. This compound may be utilized in the synthesis of pharmaceuticals, agrochemicals, or other fine chemicals, owing to its unique structural features. Additionally, its properties, such as boiling point, melting point, and reactivity, can be influenced by the presence of the bromine and isopropyl groups, making it an interesting subject for further study in organic synthesis and medicinal chemistry.
Formula:C11H13BrO2
InChI:InChI=1S/C11H13BrO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-7H,1-3H3
InChI key:InChIKey=KVBRRJZVELPSOL-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(Br)=C(C(C)C)C=C1
Synonyms:
  • Benzoic acid, 3-bromo-4-(1-methylethyl)-, methyl ester
  • Methyl 3-bromo-4-(1-methylethyl)benzoate
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