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CS-W001157 4
Total: USD 88.00

3-Pyridinecarbonitrile,5-acetyl-1,2-dihydro-6-methyl-2-oxo-

  • CAS No. 52600-53-0

  • Cat. No. CS-0006432
  • Purity≥95%
  • MDL No.MFCD00174249

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

3-Pyridinecarbonitrile,5-acetyl-1,2-dihydro-6-methyl-2-oxo-|CS-0006432

Structure of 52600-53-0

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General Information

  • CAS No. 52600-53-0
  • Cat. No. CS-0006432
  • Purity ≥95%
  • MDL No. MFCD00174249
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 5-ACETYL-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
  • SMILES O=C1NC(C)=C(C(C)=O)C=C1C#N

Synthesis

  • Route1
    • In-stock
      DMF-DMA|CS-0016065
      4637-24-5
    • null|null
      123-54-6
    • null|null
      107-91-5
    • ~45%
    • 3-Pyridinecarbonitrile,5-acetyl-1,2-dihydro-6-methyl-2-oxo-|CS-0006432
      52600-53-0

    References

    • Abu-Shanab; Redhouse; Thompson; Wakefield Synthesis, 1995 , # 5 p. 557 - 560
  • Route2
    • null|null
      18670-46-7
    • null|null
      107-91-5
    • ~43%
    • 3-Pyridinecarbonitrile,5-acetyl-1,2-dihydro-6-methyl-2-oxo-|CS-0006432
      52600-53-0

    References

    • Merrell Dow Pharmaceuticals Inc. Patent: US4568751 A1, 1986 ;
  • Route3
    • 3-((Dimethylamino)methylene)pentane-2,4-dione|CS-0576300
      18856-72-9
    • null|null
      41808-21-3
    • ~92%
    • 3-Pyridinecarbonitrile,5-acetyl-1,2-dihydro-6-methyl-2-oxo-|CS-0006432
      52600-53-0

    References

    • Mosti, Luisa; Schenone, Pietro; Menozzi, Giulia Journal of Heterocyclic Chemistry, 1985 , vol. 22, p. 1503 - 1509

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+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   73.72
  • LogP   0.7576
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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