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CS-W001157 4
Total: USD 88.00

1,4-Oxazepan-3-one

  • CAS No. 61108-69-8

  • Cat. No. CS-0037454
  • Purity≥95%
  • MDL No.None

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

1,4-Oxazepan-3-one|CS-0037454

Structure of 61108-69-8

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General Information

  • CAS No. 61108-69-8
  • Cat. No. CS-0037454
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO₂
  • Molecular Weight 115.13
  • Synonym(s) 3-oxacaprolactam
  • SMILES C1CNC(=O)COC1

Synthesis

  • Route1
    • null|null
      68905-24-8
    • ~%
    • In-stock
      1,4-Oxazepan-3-one|CS-0037454
      61108-69-8

    References

    • Shankaran; Donnelly, Karla L.; Shah, Shrenik K.; Caldwell, Charles G.; Chen, Ping; Hagmann, William K.; MacCoss, Malcolm; Humes, John L.; Pacholok, Stephen G.; Kelly, Theresa M.; Grant, Stephan K.; Wong, Kenny K. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 23 p. 5907 - 5911
  • Route2
    • 2-(3-Aminopropoxy)acetic acid|CS-0266521
      61108-70-1
    • ~%
    • In-stock
      1,4-Oxazepan-3-one|CS-0037454
      61108-69-8

    References

    • Chevron Research Company Patent: US4126614 A1, 1978 ;
  • Route3
    • null|null
      105-39-5
    • In-stock
      3-Aminopropan-1-ol|CS-W020089
      156-87-6
    • ~%
    • In-stock
      1,4-Oxazepan-3-one|CS-0037454
      61108-69-8

    References

    • Grouiller,A.; Pacheco,H. Journal of Heterocyclic Chemistry, 1976 , vol. 13, p. 853 - 859

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H225
Precautionary Statements : P210-P243-P273-P403

Quality Control

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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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