Description

Methyl 2-(dimethylaminomethylidene)-4-methoxy-3-oxobutanoate (CAS No. 127958-23-0) is a high-purity organic compound with the molecular formula C₉H₁₅NO₄. This specialized chemical features a unique structure combining a dimethylaminomethylidene group with a methoxy-oxobutanoate moiety, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. With a molecular weight of 201.22 g/mol, it is supplied as a stable solid or liquid (depending on storage conditions) and is ideal for use in nucleophilic addition reactions, heterocyclic synthesis, and as a precursor for bioactive molecules. Our product undergoes rigorous QC testing (HPLC, NMR) to ensure ≥95% purity, meeting the demands of researchers and industrial applications. Proper storage under inert atmosphere at 2-8°C is recommended to maintain integrity.

Properties

• CAS Number: 127958-23-0
• Complexity: 245
• IUPAC Name: methyl 2-(dimethylaminomethylene)-4-methoxy-3-oxo-butanoate
• InChI: InChI=1S/C9H15NO4/c1-10(2)5-7(9(12)14-4)8(11)6-13-3/h5H,6H2,1-4H3
• InChI Key: YOMXMNVCBBDQDO-UHFFFAOYSA-N
• Exact Mass: 201.10010796
• Molecular Formula: C9H15NO4
• Molecular Weight: 201.22
• SMILES: CN(C)C=C(C(=O)COC)C(=O)OC
• Topological: 55.8
• Monoisotopic Mass: 201.10010796
• Synonyms: 127958-23-0, Methyl 2-(dimethylaminomethylidene)-4-methoxy-3-oxobutanoate, methyl 2-((dimethylamino)methylene)-4-methoxy-3-oxobutanoate, methyl 2-[(dimethylamino)methylene]-4-methoxy-3-oxobutanoate, SCHEMBL262793, Butanoic acid, 2-[(dimethylamino)methylene]-4-methoxy-3-oxo-, methyl ester, YOMXMNVCBBDQDO-UHFFFAOYSA-N, DA-33072, METHYL 2-[(DIMETHYLAMINO)METHYLIDENE]-4-METHOXY-3-OXOBUTANOATE

This compound serves as a key building block in the synthesis of complex heterocycles, particularly pyrroles and pyridines, due to its reactive β-ketoester functionality. Researchers utilize it in medicinal chemistry for developing kinase inhibitors and antimicrobial agents. Its dimethylaminomethylidene group also enables use in asymmetric catalysis and as a ligand precursor. Suitable for automated synthesis platforms under inert conditions.

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