Lot numbers can be found on the outside label of a product:
Ethyl 4-acetyl-5-oxohexanoate
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CAS No. 2832-10-2
- Cat. No. CS-0145909
- Purity≥98%
- MDL No.MFCD00009211
*For research and further manufacturing use only, not for direct human use.
Structure of 2832-10-2
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General Information
- CAS No. 2832-10-2
- Cat. No. CS-0145909
- Purity ≥98%
- MDL No. MFCD00009211
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₆O₄
- Molecular Weight 200.23
- Synonym(s) Ethyl 4,4-diacetylbutyrate
- SMILES CC(C(C(C)=O)CCC(OCC)=O)=O
Description
Ethyl 4-acetyl-5-oxohexanoate features a conjugated β-keto ester scaffold with flanking acetyl and oxo groups, enabling facile enolization and nucleophilic addition. This bifunctional reactivity supports efficient cyclizations and C–C bond formations under mild conditions, making it valuable in heterocycle synthesis and natural product derivatization.
Application
Ethyl 4-acetyl-5-oxohexanoate serves as a versatile β-keto ester building block for the synthesis of substituted cyclohexanones and heterocyclic scaffolds. Its dual electrophilic acetyl and oxo groups enable sequential aldol and cyclization reactions under mild conditions, facilitating efficient construction of complex carbocyclic and nitrogen-containing rings. The molecule exhibits excellent bench stability and is readily purified by standard distillation or chromatography, making it well-suited for scalable laboratory synthesis and medicinal chemistry applications.
Synthesis
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Route1
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123-54-6 -
140-88-5
- ~93%
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In-stock
2832-10-2
References
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Nelson, John H.; Howells, Peter N.; DeLullo, George C.; Landen, George L.; Henry, Ronald A. Journal of Organic Chemistry, 1980 , vol. 45, # 7 p. 1246 - 1249
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Route2
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123-54-6
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140-88-5
- ~94%
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In-stock
2832-10-2
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13984-58-2
References
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Shrout; Lightner Synthesis, 1990 , # 11 p. 1062 - 1065
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Route3
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15435-71-9 -
623-71-2
- ~%
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In-stock
2832-10-2
References
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March Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1902 , vol. 134, p. 180 Annales de Chimie (Cachan, France), 1902 , vol. <7> 26, p. 327,329
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 60.44
- LogP 1.1239
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 6
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Key Words
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