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Ethyl 3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanoate

  • CAS No. 856414-68-1

  • Cat. No. CS-0199478
  • Purity≥95%
  • MDL No.MFCD04115573

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

Ethyl 3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanoate|CS-0199478

Structure of 856414-68-1

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General Information

  • CAS No. 856414-68-1
  • Cat. No. CS-0199478
  • Purity ≥95%
  • MDL No. MFCD04115573
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆O₄
  • Molecular Weight 200.23
  • Synonym(s) Ethyl 3-oxo-3-(4-tetrahydropyranyl)propanoate
  • SMILES CCOC(=O)CC(=O)C1CCOCC1

Description

Ethyl 3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanoate features a ketone and ester functional group flanking a tetrahydropyran-4-yl substituent, enabling seamless integration into complex molecular architectures. This bench-stable building block facilitates efficient access to oxygenated carbocycles and heterocyclic scaffolds under standard conditions.

Application

Ethyl 3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanoate serves as a versatile β-keto ester scaffold for aldol condensations and Michael additions, enabling efficient construction of complex carbocyclic and heterocyclic architectures. The tetrahydro-2H-pyran-4-yl group provides orthogonal protection for diols and enhances solubility in polar organic media, while the ethyl ester facilitates downstream derivatization. Its bench-stable nature and compatibility with standard synthetic protocols make it a reliable building block for medicinal chemistry and natural product synthesis workflows.

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.9353
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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