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CS-W001157 4
Total: USD 88.00

4-Propylpyrrolidin-2-one

  • CAS No. 89895-19-2

  • Cat. No. CS-0061478
  • Molecule weight127.18
  • Purity≥98%
  • MDL No.MFCD15146418

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

4-Propylpyrrolidin-2-one|CS-0061478

Structure of 89895-19-2

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General Information

  • CAS No. 89895-19-2
  • Cat. No. CS-0061478
  • Purity ≥98%
  • MDL No. MFCD15146418
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃NO
  • Molecular Weight 127.18
  • Synonym(s) 4-propyl-2-Pyrrolidinone
  • SMILES CCCC1CC(NC1)=O

Synthesis

  • Route1
    • Ethyl 3-(nitromethyl)hexanoate|CS-0776521
      128013-61-6
    • ~79%
    • 4-Propylpyrrolidin-2-one|CS-0061478
      89895-19-2

    References

    • UCB S.A. Patent: WO2007/31263 A1, 2007 ; Location in patent: Page/Page column 23 ;
  • Route2

    References

    • Shankaran; Donnelly, Karla L.; Shah, Shrenik K.; Guthikonda, Ravindra N.; MacCoss, Malcolm; Humes, John L.; Pacholok, Stephen G.; Grant, Stephan K.; Kelly; Wong Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 17 p. 4539 - 4544
  • Route3
    • Ethyl hex-2-enoate|CS-1156681
      1552-67-6
    • ~%
    • 4-Propylpyrrolidin-2-one|CS-0061478
      89895-19-2

    References

    • Mercier, Joel; Archen, Laurence; Bollu, Veronique; Carre, Stephane; Evrard, Yves; Jnoff, Eric; Kenda, Benoit; Lallemand, Benedicte; Michel, Philippe; Montel, Florian; Moureau, Florence; Price, Nathalie; Quesnel, Yannick; Sauvage, Xavier; Valade, Anne; Provins, Laurent ChemMedChem, 2014 , vol. 9, # 4 p. 693 - 698

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   0.9226
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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