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Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

  • CAS No. 52664-01-4

  • Cat. No. CS-0080338
  • Purity≥97%
  • MDL No.MFCD00220707

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

Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate|CS-0080338

Structure of 52664-01-4

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General Information

  • CAS No. 52664-01-4
  • Cat. No. CS-0080338
  • Purity ≥97%
  • MDL No. MFCD00220707
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N₃O₂
  • Molecular Weight 219.24
  • Synonym(s) Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5,7-dimethyl-, ethyl ester
  • SMILES CC1=NC2=C(C(OCC)=O)C=NN2C(C)=C1

Synthesis

  • Route1
    • Ethyl 3-amino-1H-pyrazole-4-carboxylate Allopurinol Impurity|CS-0229741
      6994-25-8
    • null|null
      123-54-6
    • ~%
    • Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate|CS-0080338
      52664-01-4

    References

    • THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES; MARUGAN, Juan Jose; SOUTHALL, Noel; GOLDIN, Ehud; ZHENG, Wei; PATNAIK, Samarjit; SIDRANSKY, Ellen; MOTABAR, Omid; WESTBROOK, Wendy Patent: WO2012/78855 A1, 2012 ; Location in patent: Page/Page column 17 ; WO 2012/078855 A1
  • Route2

    References

    • Maquestiau, A.; Taghret, H.; Eynde, J.-J. vanden Bulletin des Societes Chimiques Belges, 1992 , vol. 101, # 2 p. 131 - 136

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.49
  • LogP   1.52284
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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