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CS-W001157 4
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Ethyl 3-amino-6-chloro-5-cyano-2-methylisonicotinate

  • CAS No. 99421-19-9

  • Cat. No. CS-0587121
  • Molecule weight239.66
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-amino-6-chloro-5-cyano-2-methylisonicotinate|CS-0587121

Structure of 99421-19-9

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General Information

  • CAS No. 99421-19-9
  • Cat. No. CS-0587121
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀ClN₃O₂
  • Molecular Weight 239.66
  • Synonym(s) 3-aMino-6-chloro-5-cyano-2-Methyl-isonicotinic acid ethyl ester
  • SMILES CCOC(=O)C1=C(C(=NC(=C1N)C)Cl)C#N

Synthesis

  • Route1

    References

    • Pieper; Yang; Zhou; Liu Journal of the American Chemical Society, 1997 , vol. 119, # 8 p. 1809 - 1817
  • Route2
    • Ethyl 3-cyano-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-4-carboxylate|CS-0667116
      5427-92-9
    • ~%
    • Ethyl 3-amino-6-chloro-5-cyano-2-methylisonicotinate|CS-0587121
      99421-19-9

    References

    • Pieper; Yang; Zhou; Liu Journal of the American Chemical Society, 1997 , vol. 119, # 8 p. 1809 - 1817
  • Route3

    References

    • Pieper; Yang; Zhou; Liu Journal of the American Chemical Society, 1997 , vol. 119, # 8 p. 1809 - 1817

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   89
  • LogP   1.674
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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