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CS-W001157 4
Total: USD 88.00

3-Oxo-N-[3-(trifluoromethyl)phenyl]butanamide

  • CAS No. 785-74-0

  • Cat. No. CS-0218576
  • Molecule weight245.20
  • Purity95+%
  • MDL No.None

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

3-Oxo-N-[3-(trifluoromethyl)phenyl]butanamide|CS-0218576

Structure of 785-74-0

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General Information

  • CAS No. 785-74-0
  • Cat. No. CS-0218576
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀F₃NO₂
  • Molecular Weight 245.20
  • Synonym(s) 3-TRIFLUOROMETHYLACETO-ACETANILIDE
  • SMILES CC(CC(NC1=CC=CC(C(F)(F)F)=C1)=O)=O

Synthesis

  • Route1
    • null|null
      674-82-8
    • null|null
      98-16-8
    • ~63%
    • 3-Oxo-N-[3-(trifluoromethyl)phenyl]butanamide|CS-0218576
      785-74-0

    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
  • 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
      98-16-8
    • ~%
    • 3-Oxo-N-[3-(trifluoromethyl)phenyl]butanamide|CS-0218576
      785-74-0

    References

    • Diamond Shamrock Corporation Patent: US4103016 A1, 1978 ;

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   2.623
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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