CAS 59147-45-4

Butanoic acid, 4-bromo-3-methyl-, methyl ester

Description:

Butanoic acid, 4-bromo-3-methyl-, methyl ester, with the CAS number 59147-45-4, is an organic compound characterized by its ester functional group derived from butanoic acid. This compound features a butanoic acid backbone with a bromine atom and a methyl group substituted at the 4th and 3rd positions, respectively. As an ester, it typically exhibits a fruity odor and is likely to be a colorless liquid at room temperature. The presence of the bromine atom may impart unique reactivity, making it useful in various chemical syntheses or as an intermediate in organic reactions. Its solubility in organic solvents is expected, while its solubility in water may be limited due to the hydrophobic nature of the butyl group. The compound's properties, such as boiling point and density, would be influenced by the molecular structure and the presence of substituents. Overall, this compound may find applications in fields such as pharmaceuticals, agrochemicals, or as a flavoring agent, depending on its specific reactivity and stability.

Formula: C₆H₁₁BrO₂

InChI: InChI=1S/C6H11BrO2/c1-5(4-7)3-6(8)9-2/h5H,3-4H2,1-2H3

InChI key: InChIKey=GQZJJQSGDFIXQM-UHFFFAOYSA-N

SMILES: C(C(CBr)C)C(OC)=O

Synonyms:

• Methyl 4-bromo-3-methylbutyrate
• Methyl 4-bromo-3-methylbutanoate
• Butanoic acid, 4-bromo-3-methyl-, methyl ester

Methyl 4-bromo-3-methylbutanoate

CAS: 59147-45-4

Versatile small molecule scaffold

Formula: C₆H₁₁BrO₂

Purity: Min. 95%

Molecular weight: 195.05 g/mol

Ref: 3D-JCA14745