Ethyl 4-acetyl-5-oxohexanoate

CAS No. 2832-10-2
Cat. No. CS-0145909
Purity≥98%
MDL No.MFCD00009211

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Ethyl 4-acetyl-5-oxohexanoate|CS-0145909

Structure of 2832-10-2

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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.

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

Computational Chemistry Data

TPSA 60.44
LogP 1.1239
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 6

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty chain compounds

Key Words

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Ethyl 4-acetyl-5-oxohexanoate

CAS No. 2832-10-2

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