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CS-W001157 4
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1-(2-Ethylhexyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile

  • CAS No. 51418-88-3

  • Cat. No. CS-0569399
  • Purity≥98%
  • MDL No.None

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

1-(2-Ethylhexyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile|CS-0569399

Structure of 51418-88-3

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General Information

  • CAS No. 51418-88-3
  • Cat. No. CS-0569399
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₂N₂O₂
  • Molecular Weight 262.35
  • Synonym(s) 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
  • SMILES CCCCC(CC)CN1C(=O)C=C(C(=C1O)C#N)C

Synthesis

  • Route1

    References

    • Wuerthner, Frank; Yao, Sheng; Debaerdemaeker, Tony; Wortmann, Ruediger Journal of the American Chemical Society, 2002 , vol. 124, # 32 p. 9431 - 9447
  • Route2
    • null|null
      104-75-6
    • ~%
    • 1-(2-Ethylhexyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile|CS-0569399
      51418-88-3

    References

    • Wuerthner, Frank; Yao, Sheng; Debaerdemaeker, Tony; Wortmann, Ruediger Journal of the American Chemical Society, 2002 , vol. 124, # 32 p. 9431 - 9447

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

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Computational Chemistry Data

  • TPSA   66.02
  • LogP   2.9504
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   6

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