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CS-W001157 4
Total: USD 88.00

1-Octylpyrrolidin-2-one

  • CAS No. 2687-94-7

  • Cat. No. CS-W015668
  • Purity≥98%
  • MDL No.MFCD00074965

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

1-Octylpyrrolidin-2-one|CS-W015668

Structure of 2687-94-7

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General Information

  • CAS No. 2687-94-7
  • Cat. No. CS-W015668
  • Purity ≥98%
  • MDL No. MFCD00074965
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₃NO
  • Molecular Weight 197.32
  • Synonym(s) N-ethyl pyrrolidone
  • SMILES O=C1N(CCCCCCCC)CCC1

Description

1-Octylpyrrolidin-2-one is a bench-stable, moisture-tolerant cyclic amide featuring a long aliphatic chain that enhances solubility in nonpolar media. This structural motif integrates seamlessly into lipophilic molecular architectures, serving as a key scaffold in bioactive compound design and functional material development.

Synthesis

  • Route1
    • null|null
      616-45-5
    • In-stock
      Octanal|CS-0138976
      124-13-0
    • ~91%
    • In-stock
      1-Octylpyrrolidin-2-one|CS-W015668
      2687-94-7

    References

    • Fache, Fabienne; Bethmont, Valerie; Jacquot, Laurent; Lemaire, Marc Recueil des Travaux Chimiques des Pays-Bas-Journal of the Royal Netherlands, 1996 , vol. 115, # 4 p. 231 - 238
  • Route2
    • null|null
      616-45-5
    • In-stock
      1-Bromooctane|CS-0076039
      111-83-1
    • ~86%
    • In-stock
      1-Octylpyrrolidin-2-one|CS-W015668
      2687-94-7

    References

    • Skinner; Rosentreter; Elward Journal of Pharmaceutical Sciences, 1983 , vol. 72, # 11 p. 1354 - 1356
  • Route3
    • null|null
      616-45-5
    • null|null
      111-85-3
    • null|null
      1634-04-4
    • ~%
    • In-stock
      1-Octylpyrrolidin-2-one|CS-W015668
      2687-94-7

    References

    • SNPE Patent: US5986092 A1, 1999 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS09
Signal Word : Danger
UN#: 3267
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H411
Precautionary Statements : P260-P264-P273-P280-P301+P330+P331-P304+P340-P363-P391-P405-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.9693
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   7

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