Methyl Acetoacetate

• CAT Number: R017983
• CAS Number: 105-45-3
• Molecular Formula: C5H8O3
• Molecular Weight: 116.12
• Purity: ≥95%
• Synonyms: Methyl Ester Acetoacetic Acid; 3-Oxobutanoic Acid Methyl Ester; 3-Oxobutyric Acid Methyl Ester; Acetoacetate Methyl Ester; Methyl 3-Oxobutanoate; Methyl 3-Oxobutyrate; Methyl Acetoacetate; Methyl Acetylacetate
• Target: Endogenous Metabolite
• Storage: -20°C
• IUPAC Name: methyl 3-oxobutanoate
• InChI: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
• InChIKey: WRQNANDWMGAFTP-UHFFFAOYSA-N
• SMILES: CC(=O)CC(=O)OC

Methyl acetoacetate (Cat No.: R017983) is a versatile β-keto ester with the molecular formula C₅H₈O₃. It consists of a methyl ester and a ketone functional group, making it highly reactive in various organic transformations. It is widely used as a building block in the synthesis of pharmaceuticals, agrochemicals, dyes, and flavoring agents. Methyl acetoacetate participates in condensation reactions, such as the Knoevenagel and Claisen condensations, and serves as a precursor in heterocyclic chemistry. Its enolizable hydrogen also enables tautomerization and nucleophilic activity.