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CS-W001157 4
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Ethyl 2-ethyl-3-oxobutanoate

  • CAS No. 607-97-6

  • Cat. No. CS-W008164
  • Purity≥97%
  • MDL No.MFCD00039898

*For research and further manufacturing use only, not for direct human use.

Ethyl 2-ethyl-3-oxobutanoate|CS-W008164

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General Information

  • CAS No. 607-97-6
  • Cat. No. CS-W008164
  • Purity ≥97%
  • MDL No. MFCD00039898
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.20
  • Synonym(s) Ethyl 2-ethylacetoacetate
  • SMILES CC(C(CC)C(OCC)=O)=O

Description

Ethyl 2-ethyl-3-oxobutanoate is a β-keto ester featuring a sterically hindered ethyl group at the α-position, enhancing its stability under standard conditions. This structural motif enables direct participation in Claisen condensations and Michael additions, serving as a key building block for complex carbocyclic and heterocyclic frameworks in synthetic organic chemistry.

Application

Ethyl 2-ethyl-3-oxobutanoate serves as a versatile β-keto ester building block in synthetic organic chemistry, enabling efficient construction of substituted cyclohexanones and heterocyclic scaffolds via Claisen condensation and related transformations. Its well-defined reactivity profile supports facile enolization and nucleophilic addition, with excellent bench stability and straightforward purification by distillation or chromatography. The molecule functions reliably in multistep syntheses requiring controlled ketone and ester functionality.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
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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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.1647
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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