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CS-W001157 4
Total: USD 88.00

N-(2-Fluorophenyl)-3-oxobutanamide

  • CAS No. 5279-85-6

  • Cat. No. CS-0309323
  • Purity95+%
  • MDL No.None

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

N-(2-Fluorophenyl)-3-oxobutanamide|CS-0309323

Structure of 5279-85-6

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General Information

  • CAS No. 5279-85-6
  • Cat. No. CS-0309323
  • Purity 95+%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀FNO₂
  • Molecular Weight 195.19
  • Synonym(s) N-(2-Fluorophenyl)-3-oxobutyramide
  • SMILES CC(CC(NC1=CC=CC=C1F)=O)=O

Synthesis

  • Route1

    References

    • KALYPSYS, INC. Patent: US2008/139558 A1, 2008 ; Location in patent: Page/Page column 34 ; US 20080139558 A1
  • Route2

    References

    • Wlodarczyk, Nicolas; Simenel, Catherine; Delepierre, Muriel; Barale, Jean-Christophe; Janin, Yves L. Synthesis, 2011 , # 6 art. no. T51110SS, p. 934 - 942
  • Route3
    • null|null
      674-82-8
    • null|null
      348-54-9
    • ~31%
    • N-(2-Fluorophenyl)-3-oxobutanamide|CS-0309323
      5279-85-6

    References

    • Powers, Larry J.; Fogt, S. W.; Ariyan, Z. S.; Rippin, D. J.; Heilman, R. D.; Matthews, Richard J. Journal of Medicinal Chemistry, 1981 , vol. 24, # 5 p. 604 - 609

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   1.7433
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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