CAS 1148004-80-1

Methyl (3E)-4-(3-bromophenyl)-2-oxo-3-butenoate

Description:

Methyl (3E)-4-(3-bromophenyl)-2-oxo-3-butenoate, identified by its CAS number 1148004-80-1, is an organic compound characterized by its ester functional group and a conjugated system that includes a double bond and a carbonyl group. This compound features a bromophenyl substituent, which contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the methyl ester group enhances its solubility in organic solvents, making it suitable for various synthetic applications. The (3E) configuration indicates the specific geometric arrangement of the double bond, which can influence the compound's reactivity and interaction with biological targets. Additionally, the compound's structure suggests potential for electrophilic reactions due to the electron-withdrawing effects of the bromine atom and the carbonyl group. Overall, this compound's unique structural features may lead to interesting chemical properties and reactivity patterns, making it a subject of interest in organic synthesis and medicinal chemistry.

Formula: C₁₁H₉BrO₃

InChI: InChI=1S/C11H9BrO3/c1-15-11(14)10(13)6-5-8-3-2-4-9(12)7-8/h2-7H,1H3/b6-5+

InChI key: InChIKey=RNIUBRSAJZCNCK-AATRIKPKSA-N

SMILES: C(=C/C(C(OC)=O)=O)\C1=CC(Br)=CC=C1

Synonyms:

• Methyl (3E)-4-(3-bromophenyl)-2-oxo-3-butenoate
• Methyl trans-4-(3-bromophenyl)-2-oxo-3-butenoate
• 3-Butenoic acid, 4-(3-bromophenyl)-2-oxo-, methyl ester, (3E)-