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CS-W001157 4
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Ethyl 4-oxotetrahydro-2H-pyran-3-carboxylate

  • CAS No. 141419-94-5

  • Cat. No. CS-0018936
  • Purity93% (total of isomer)
  • MDL No.MFCD13190006

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

Ethyl 4-oxotetrahydro-2H-pyran-3-carboxylate|CS-0018936

Structure of 141419-94-5

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General Information

  • CAS No. 141419-94-5
  • Cat. No. CS-0018936
  • Purity 93% (total of isomer)
  • MDL No. MFCD13190006
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) None
  • SMILES O=C(C1COCCC1=O)OCC

Description

Ethyl 4-oxotetrahydro-2H-pyran-3-carboxylate features a reactive β-ketoester moiety flanked by a tetrahydropyran ring, enabling direct functionalization at the C4 position. This scaffold integrates readily into complex heterocyclic systems and serves as a key intermediate in natural product synthesis and medicinal chemistry campaigns.

Application

Ethyl 4-oxotetrahydro-2H-pyran-3-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to oxygenated heterocyclic scaffolds. Its α,β-unsaturated carbonyl motif facilitates Michael additions, aldol condensations, and reductive aminations under mild conditions. The molecule exhibits bench stability, tolerates diverse functional groups, and simplifies purification due to its crystalline nature—making it ideal for iterative synthesis in medicinal chemistry and natural product derivatization workflows.

Safety Information

Download SDS
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   52.6
  • LogP   0.1551
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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