Lot numbers can be found on the outside label of a product:
Ethyl 2-oxobutanoate
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CAS No. 15933-07-0
- Cat. No. CS-W005382
- Purity≥95%
- MDL No.MFCD03265336
*For research and further manufacturing use only, not for direct human use.
Structure of 15933-07-0
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General Information
- CAS No. 15933-07-0
- Cat. No. CS-W005382
- Purity ≥95%
- MDL No. MFCD03265336
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₀O₃
- Molecular Weight 130.14
- Synonym(s) ethyl acetoacetate, sodium salt
- SMILES CCC(C(OCC)=O)=O
Description
Ethyl 2-oxobutanoate serves as a key β-keto ester scaffold in synthetic organic chemistry, featuring a reactive carbonyl flanked by an ethyl ester and a methyl group. This structure enables efficient enolization and nucleophilic addition, facilitating C–C bond formation under mild conditions. The molecule demonstrates robust stability under standard bench protocols and integrates readily into multistep syntheses of heterocycles and bioactive intermediates.
Application
Ethyl 2-oxobutanoate serves as a versatile β-keto ester building block in synthetic organic chemistry, enabling efficient aldol condensations, Claisen-type reactions, and heterocycle formation. Its well-documented reactivity supports the construction of complex carbonyl architectures with predictable stereochemistry, making it valuable for medicinal chemistry and process development. The compound exhibits good bench stability and is amenable to standard purification techniques, facilitating reliable integration into multi-step syntheses.
Synthesis
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Route1
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600-18-0 -
64-17-5 - ~97%
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In-stock
15933-07-0
References
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Sunovion Pharmaceuticals Inc. Patent: US2012/178748 A1, 2012 ; Location in patent: Page/Page column 52-53 ; US 20120178748 A1
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Route2
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In-stock
52089-54-0 - ~13%
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In-stock
15933-07-0
References
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SmithKline Beecham Corporation Patent: US2008/96921 A1, 2008 ; Location in patent: Page/Page column 78 ;
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Route3
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3070-65-3 - ~90%
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In-stock
15933-07-0
References
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Chemie Linz Gesellschaft m.b.H. Patent: US4769464 A1, 1988 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 0.5286
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 3
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