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CS-W001157 4
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(E)-Ethyl 3-oxohex-4-enoate

  • CAS No. 25654-09-5

  • Cat. No. CS-0700573
  • Purity≥95%
  • MDL No.MFCD17013519

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

(E)-Ethyl 3-oxohex-4-enoate|CS-0700573

Structure of 25654-09-5

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General Information

  • CAS No. 25654-09-5
  • Cat. No. CS-0700573
  • Purity ≥95%
  • MDL No. MFCD17013519
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₃
  • Molecular Weight 156.18
  • Synonym(s) None
  • SMILES CCOC(=O)CC(=O)\C=C\C

Description

(E)-Ethyl 3-oxohex-4-enoate features a conjugated enone system with defined (E)-stereochemistry, enabling predictable reactivity in Michael additions and aldol condensations. This bench-stable ester integrates readily into complex molecule synthesis, particularly for constructing carbon frameworks with controlled geometry.

Application

(E)-Ethyl 3-oxohex-4-enoate serves as a versatile β-keto ester building block for Michael additions, Claisen condensations, and heterocycle synthesis. Its conjugated enone system enables efficient nucleophilic attack at the β-position, while the ethyl ester facilitates subsequent transformations. Bench-stable and readily purified by distillation or column chromatography, it functions reliably in multistep syntheses of complex carbonyl-containing scaffolds.

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 : H302-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   1.0848
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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