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CS-W001157 4
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Ethyl 4-methyl-3-oxopentanoate

  • CAS No. 7152-15-0

  • Cat. No. CS-W016205
  • Purity≥95%
  • MDL No.MFCD00009198

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

Ethyl 4-methyl-3-oxopentanoate|CS-W016205

Structure of 7152-15-0

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General Information

  • CAS No. 7152-15-0
  • Cat. No. CS-W016205
  • Purity ≥95%
  • MDL No. MFCD00009198
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.20
  • Synonym(s) Isobutyrylacetic Acid Ethyl Ester
  • SMILES C(=O)(CC(=O)C(C)C)OCC

Description

Ethyl 4-methyl-3-oxopentanoate features a β-keto ester scaffold with a methyl-substituted α-carbon, enabling facile enolization and nucleophilic addition. This structural motif supports efficient C–C bond formation in multicomponent reactions and serves as a key building block for heterocyclic synthesis under mild conditions.

Application

Ethyl 4-methyl-3-oxopentanoate serves as a versatile β-keto ester building block in synthetic organic chemistry, enabling efficient construction of substituted cyclohexanones and heterocyclic scaffolds via intramolecular aldol condensation or Michael additions. Its well-defined enolization behavior and compatibility with standard catalytic systems facilitate reliable functional group manipulation. The molecule’s bench-stable nature and straightforward purification support scalable synthesis workflows for medicinal chemistry and process development.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Warning
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-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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