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CS-W001157 4
Total: USD 88.00

1,4-Oxazepan-5-one

  • CAS No. 10341-26-1

  • Cat. No. CS-W021289
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD02683091

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

1,4-Oxazepan-5-one|CS-W021289

Structure of 10341-26-1

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General Information

  • CAS No. 10341-26-1
  • Cat. No. CS-W021289
  • Purity ≥97%
  • MDL No. MFCD02683091
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C1NCCOCC1

Description

1,4-Oxazepan-5-one is a seven-membered heterocyclic lactam featuring a nitrogen atom at the 1-position and a carbonyl group at the 5-position. This scaffold imparts structural rigidity and polarity, enabling its use in medicinal chemistry for modulating pharmacokinetic properties. The ring system demonstrates stability under standard conditions and serves as a key motif in bioactive compound design.

Application

1,4-Oxazepan-5-one serves as a versatile heterocyclic building block in medicinal chemistry, offering a stable, saturated oxazepane scaffold with a reactive carbonyl at C5. It enables efficient functionalization via nucleophilic addition or reductive amination, facilitating the synthesis of complex nitrogen-containing architectures. The ring's bench stability and compatibility with diverse reaction conditions make it a practical choice for iterative library synthesis and API development.

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 52, # 10 p. 1074 - 1077
  • Route2

    References

    • EP1621537 A1, ; Page/Page column 39 ;
  • Route3
    • null|null
      61108-59-6
    • ~%
    • In-stock
      1,4-Oxazepan-5-one|CS-W021289
      10341-26-1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 23 p. 5907 - 5911

Safety Information

Download SDS
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   38.33
  • LogP   -0.4771
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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