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CS-W001157 4
Total: USD 88.00

oxane-3-carboxylic acid

  • CAS No. 873397-34-3

  • Cat. No. CS-W001890
  • Molecule weight130.14
  • Purity≥97%
  • MDL No.MFCD04114349

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

oxane-3-carboxylic acid|CS-W001890

Structure of 873397-34-3

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General Information

  • CAS No. 873397-34-3
  • Cat. No. CS-W001890
  • Purity ≥97%
  • MDL No. MFCD04114349
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₃
  • Molecular Weight 130.14
  • Synonym(s) tetrahydro-2H-pyran-3-carboxylic acid
  • SMILES OC(=O)C1CCCOC1

Description

Oxane-3-carboxylic acid features a rigid oxane ring with a carboxylic acid group at the 3-position, offering enhanced stability and defined stereochemistry. This structural motif integrates readily into bioactive scaffolds, enabling precise functionalization in medicinal chemistry and polymer synthesis under standard conditions.

Application

Oxane-3-carboxylic acid serves as a versatile building block in synthetic organic chemistry, offering a rigid, oxygen-containing heterocyclic framework with a pendant carboxylic acid group. Its well-defined stereochemistry and bench stability facilitate use in medicinal chemistry campaigns, particularly for constructing bioactive heterocycles and peptide mimetics. The molecule enables efficient derivatization via standard esterification, amidation, and coupling reactions, supporting applications in scaffold diversification and lead optimization workflows.

Synthesis

  • Route1

    References

    • WO2012/40230 A1, ; Page/Page column 100 ; WO 2012/040230 A1
  • Route2
    • Tetrahydro-2H-pyran-3-carbonitrile|CS-0461108
      89464-26-6
    • ~97%
    • In-stock
      oxane-3-carboxylic acid|CS-W001890
      873397-34-3

    References

    • Loepfe, Michael; Linden, Anthony; Heimgartner, Heinz Heterocycles, 2011 , vol. 82, # 2 p. 1267 - 1282
  • Route3
    • null|null
      110-87-2
    • ~%
    • In-stock
      oxane-3-carboxylic acid|CS-W001890
      873397-34-3

    References

    • Heterocycles, , vol. 82, # 2 p. 1267 - 1282

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   46.53
  • LogP   0.4976
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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