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3-(6-Methylpyridin-2-yl)-3-oxopropanenitrile

  • CAS No. 868395-53-3

  • Cat. No. CS-0456706
  • Purity≥98%
  • MDL No.None

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

3-(6-Methylpyridin-2-yl)-3-oxopropanenitrile|CS-0456706

Structure of 868395-53-3

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General Information

  • CAS No. 868395-53-3
  • Cat. No. CS-0456706
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O
  • Molecular Weight 160.17
  • Synonym(s) 3-(6-Methyl-2-pyridinyl)-3-oxopropanenitrile
  • SMILES CC1=NC(=CC=C1)C(=O)CC#N

Synthesis

  • Route1
    • Ethyl 6-methylpicolinate|CS-0327462
      39640-51-2
    • null|null
      75-05-8
    • ~91%
    • 3-(6-Methylpyridin-2-yl)-3-oxopropanenitrile|CS-0456706
      868395-53-3

    References

    • Skolnick, Phil; Epstein, Joseph William Patent: US2005/245517 A1, 2005 ; Location in patent: Page/Page column 11-12 ;

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   53.75
  • LogP   1.4864
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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