Description

Methyl 2-ethyl-3-oxobutanoate (CAS No. 51756-08-2) is a high-purity ester compound with the molecular formula C₇H₁₂O₃, widely utilized in organic synthesis and pharmaceutical research. This clear to pale-yellow liquid exhibits a characteristic ester-like odor and is soluble in common organic solvents such as ethanol, ether, and acetone. With a boiling point of approximately 190-195°C and a density of 1.02 g/cm³, it serves as a versatile intermediate for the preparation of fine chemicals, flavoring agents, and active pharmaceutical ingredients (APIs). Its reactive β-keto ester moiety makes it invaluable for Claisen condensations, Michael additions, and other C-C bond-forming reactions. Packaged under inert gas to ensure stability, our product undergoes rigorous QC testing (GC/HPLC) to guarantee ≥98% purity, meeting the stringent demands of research and industrial applications.

Properties

• CAS Number: 51756-08-2
• Complexity: 140
• IUPAC Name: methyl 2-ethyl-3-oxo-butanoate
• InChI: InChI=1S/C7H12O3/c1-4-6(5(2)8)7(9)10-3/h6H,4H2,1-3H3
• InChI Key: YXLVLOWNJCOOAU-UHFFFAOYSA-N
• Exact Mass: 144.078644241
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• SMILES: CCC(C(=O)C)C(=O)OC
• Topological: 43.4
• Monoisotopic Mass: 144.078644241
• Synonyms: Methyl 2-ethylacetoacetate, Butanoic acid, 2-ethyl-3-oxo-, methyl ester, EINECS 257-381-3, Methyl 2-ethyl-3-oxobutyrate, DTXSID00871398, DTXCID30819066, 257-381-3, yxlvlownjcooau-uhfffaoysa-n, 51756-08-2, Methyl 2-ethyl-3-oxobutanoate, methyl-2-ethylacetoacetate, MFCD01632136, 2-Ethyl-3-oxobutanoic acid, methyl ester, methyl acetylbutyrate, methyl 2-acetylbutyrate, methyl ethyl acetoacetate, Methyl2-ethyl-3-oxobutanoate, SCHEMBL222338, methyl 2-ethyl-3-oxo-butyrate, SCHEMBL27499231, Methyl 2-ethyl-3-oxobutanoate #, BCA75608, AKOS000121358, AKOS017278456, SY106424, DB-071402, NS00012891, EN300-21229, Methyl 2-ethylacetoacetate, >=97.0% (GC), G92338, F0001-1348

Application

Methyl 2-ethyl-3-oxobutanoate is extensively employed as a building block in organic synthesis, particularly for constructing complex molecules via its reactive keto and ester functional groups. It finds use in pharmaceutical intermediates, contributing to the synthesis of antihypertensive and antimicrobial agents. Additionally, this compound is leveraged in flavor and fragrance industries due to its ability to form fruity esters upon further derivatization. Its role in metal chelation and coordination chemistry is also noted in specialized catalytic systems.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 89 of 94 companies (only 5.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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