Methylbenzoylacetate

CAS: 614-27-7

Ref. 3D-FM12517

Product Information

• Name: Methylbenzoylacetate
• Synonyms: Methyl 3-oxo-3-phenylpropanoate3-Oxo-3-phenylpropanoic acid methyl ester3-Phenyl-3-oxopropanoic acid methyl ester, 3-Oxo-3-phenylpropionic acid methyl ester, Acetic acid, benzoyl-, methyl ester, Benzenepropanoic acid, β-oxo-, methyl ester, Benzoic Propanoic Anhydride, Methyl 2-benzoylacetate, Methyl 3-Oxo-3-Phenylpropanoate, Methyl 3-phenyl-3-oxopropanoate, Methyl benzoylacetate, Methyl β-oxobenzenepropanoate, NSC 407764, Peplidiforone D, β-Oxobenzenepropanoic acid methyl ester

Description

Methylbenzoylacetate is a piperazine derivative with a hydroxy group, an acyl halide and a hydroxyl group. It has potent antibacterial activity against Gram-positive bacteria and is active against methicillin-resistant Staphylococcus aureus (MRSA). Methylbenzoylacetate also has cardiotoxic effects in rats. This compound can be used as an intermediate for the synthesis of β-amino acid derivatives. The asymmetric synthesis of methylbenzoylacetate is based on the reaction between benzoyl chloride and ethanethiol in presence of hydrogen bond acceptors such as triphenylphosphine or diethyl azodicarboxylate. The carbonyl group on the benzene ring reacts with the hydride ion from the thiol to produce an α-hydroxy ketone that undergoes oxidation to form methylbenzoate.

• Brand: Biosynth

Chemical properties

• Molecular weight: 178.18 g/mol
• Formula: C₁₀H₁₀O₃
• Purity: Min. 95%
• InChI: InChI=1S/C10H10O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3
• InChI key: InChIKey=WRGLZAJBHUOPFO-UHFFFAOYSA-N
• SMILES: COC(=O)CC(=O)c1ccccc1