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CS-W001157 4
Total: USD 88.00

3-(2-Oxocyclopentyl)propanenitrile

  • CAS No. 4594-77-8

  • Cat. No. CS-0511196
  • Purity≥97%
  • MDL No.MFCD00015762

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

3-(2-Oxocyclopentyl)propanenitrile|CS-0511196

Structure of 4594-77-8

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General Information

  • CAS No. 4594-77-8
  • Cat. No. CS-0511196
  • Purity ≥97%
  • MDL No. MFCD00015762
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO
  • Molecular Weight 137.18
  • Synonym(s) 3-(2-Oxocyclopentyl)propiononitrile
  • SMILES N#CCCC1C(CCC1)=O

Synthesis

  • Route1
    • null|null
      107-13-1
    • null|null
      120-92-3
    • ~78%
    • In-stock
      3-(2-Oxocyclopentyl)propanenitrile|CS-0511196
      4594-77-8

    References

    • Liu, Kevin K.-C.; Cornelius, Peter; Patterson, Terrell A.; Zeng, Yuan; Santucci, Stephanie; Tomlinson, Elizabeth; Gibbons, Colleen; Maurer, Tristan S.; Marala, Ravi; Brown, Janice; Kong, Jimmy X.; Lee, Eunsun; Werner, Wendy; Wenzel, Zane; Vage, Chandra Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 1 p. 266 - 271
  • Route2
    • null|null
      1614-92-2
    • null|null
      107-13-1
    • ~57%
    • In-stock
      3-(2-Oxocyclopentyl)propanenitrile|CS-0511196
      4594-77-8

    References

    • Sokolov, V. V.; Potekhin, A. A.; Ovchinnikova, I. V.; Gindin, V. A.; Smirnov, S. N. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 4 p. 582 - 589 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 4 p. 546 - 553
  • Route3
    • 1-Pyrrolidino-1-cyclopentene|CS-0204415
      7148-07-4
    • null|null
      107-13-1
    • ~%
    • In-stock
      3-(2-Oxocyclopentyl)propanenitrile|CS-0511196
      4594-77-8

    References

    • Stork,G. et al. Journal of the American Chemical Society, 1963 , vol. 85, p. 207 - 222 Full Text View citing articles Show Details Stork; Landesman Journal of the American Chemical Society, 1956 , vol. 78, p. 5128 Full Text View citing articles Show Details Segre et al. Annali di Chimica (Rome, Italy), 1957 , vol. 47, p. 1177,1183

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.65938
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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