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CS-W001157 4
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2-(Cyanomethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

  • CAS No. 5466-67-1

  • Cat. No. CS-0099607
  • Purity≥97%
  • MDL No.None

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

2-(Cyanomethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile|CS-0099607

Structure of 5466-67-1

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General Information

  • CAS No. 5466-67-1
  • Cat. No. CS-0099607
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉N₅
  • Molecular Weight 211.22
  • Synonym(s) 4-bromo-N-[(E)-(3-ethoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzohydrazide
  • SMILES CC1=CC(C)=NC2=C(C#N)C(CC#N)=NN21

Synthesis

  • Route1
    • null|null
      123-54-6
    • ~%
    • 2-(Cyanomethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile|CS-0099607
      5466-67-1

    References

    • Taylor; Hartke Journal of the American Chemical Society, 1959 , vol. 81, p. 2452,2455
  • Route2
    • null|null
      123-54-6
    • ~%
    • 2-(Cyanomethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile|CS-0099607
      5466-67-1
    • null|null
      6975-46-8

    References

    • Taylor; Hartke Journal of the American Chemical Society, 1959 , vol. 81, p. 2452,2455
  • Route3
    • null|null
      64-17-5
    • null|null
      917-58-8
    • 5-Amino-4-cyano-3-(cyanomethyl)pyrazole|CS-0158488
      54711-21-6
    • null|null
      123-54-6
    • ~%
    • 2-(Cyanomethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile|CS-0099607
      5466-67-1
    • null|null
      6975-46-8

    References

    • Taylor; Hartke Journal of the American Chemical Society, 1959 , vol. 81, p. 2452,2455

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   77.77
  • LogP   1.2839
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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