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CS-W001157 4
Total: USD 88.00

p-Acetoacetophenetidide

  • CAS No. 122-82-7

  • Cat. No. CS-0196605
  • Molecule weight221.25
  • Purity≥98%
  • MDL No.None

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

p-Acetoacetophenetidide|CS-0196605

Structure of 122-82-7

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General Information

  • CAS No. 122-82-7
  • Cat. No. CS-0196605
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₃
  • Molecular Weight 221.25
  • Synonym(s) N-Acetoacetyl-p-phenetidine
  • SMILES CCOC1=CC=C(C=C1)NC(=O)CC(=O)C

Synthesis

  • Route1
    • null|null
      674-82-8
    • null|null
      156-43-4
    • ~92%
    • p-Acetoacetophenetidide|CS-0196605
      122-82-7

    References

    • Osolodkin, Dmitry I.; Kozlovskaya, Liubov I.; Dueva, Evgenia V.; Dotsenko, Victor V.; Rogova, Yulia V.; Frolov, Konstantin A.; Krivokolysko, Sergey G.; Romanova, Ekaterina G.; Morozov, Alexey S.; Karganova, Galina G.; Palyulin, Vladimir A.; Pentkovski, Vladimir M.; Zefirov, Nikolay S. ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 9 p. 869 - 874
  • Route2

    References

    • Jones, Raymond C. F.; Collighan, Russell J.; Crane, Joanna; Hodges, Nikolas J.; Ling, Matthew S.; Stroud, Joanne Synthetic Communications, 2002 , vol. 32, # 20 p. 3185 - 3191
  • Route3

    References

    • Chemische Berichte, , vol. 64, p. 969

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   2.0029
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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