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CS-W001157 4
Total: USD 88.00

N-(2,6-dimethylphenyl)-3-oxobutanamide

  • CAS No. 52793-02-9

  • Cat. No. CS-0327065
  • Purity95+%
  • MDL No.None

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

N-(2,6-dimethylphenyl)-3-oxobutanamide|CS-0327065

Structure of 52793-02-9

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General Information

  • CAS No. 52793-02-9
  • Cat. No. CS-0327065
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₂
  • Molecular Weight 205.25
  • Synonym(s) None
  • SMILES CC1=C(NC(CC(C)=O)=O)C(C)=CC=C1

Synthesis

  • Route1
    • null|null
      674-82-8
    • null|null
      87-62-7
    • ~89%
    • N-(2,6-dimethylphenyl)-3-oxobutanamide|CS-0327065
      52793-02-9

    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

    • Feng, Qian; Chen, Dajun; Feng, Danyang; Jiao, Libin; Peng, Zhigang; Pei, Lixia Applied Organometallic Chemistry, 2014 , vol. 28, # 1 p. 32 - 37

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-H412
Precautionary Statements : P264-P270-P273-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   2.22104
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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