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CS-W001157 4
Total: USD 88.00

2,4-Dimethyl-6-oxo-1,6-dihydropyridine-3-carbonitrile

  • CAS No. 1704-19-4

  • Cat. No. CS-0106609
  • Molecule weight148.16
  • Purity95+%
  • MDL No.MFCD17010934

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

2,4-Dimethyl-6-oxo-1,6-dihydropyridine-3-carbonitrile|CS-0106609

Structure of 1704-19-4

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General Information

  • CAS No. 1704-19-4
  • Cat. No. CS-0106609
  • Purity 95+%
  • MDL No. MFCD17010934
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O
  • Molecular Weight 148.16
  • Synonym(s) 6-hydroxy-2,4-diMethylnicotinonitrile
  • SMILES CC1=C(C#N)C(C)=CC(N1)=O

Synthesis

  • Route1

    References

    • Shimojo, Masato; Taniguchi, Kana Patent: US2003/236260 A1, 2003 ; Location in patent: Page 38 ; US 20030236260 A1
  • Route2
    • null|null
      108358-06-1
    • null|null
      372-31-6
    • ~87%
    • 2,4-Dimethyl-6-oxo-1,6-dihydropyridine-3-carbonitrile|CS-0106609
      1704-19-4

    References

    • Sibgatulin, Dmitriy A.; Volochnyuk, Dmitriy M.; Kostyuk, Alexander N. Tetrahedron Letters, 2007 , vol. 48, # 15 p. 2775 - 2779
  • Route3
    • null|null
      925-90-6
    • null|null
      75-05-8
    • ~%
    • 2,4-Dimethyl-6-oxo-1,6-dihydropyridine-3-carbonitrile|CS-0106609
      1704-19-4

    References

    • Bruylants Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1922 , vol. <5> 8, p. 18 Chem. Zentralbl., 1923 , vol. 94, # I p. 86

Safety Information

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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   56.65
  • LogP   0.86342
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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