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Ethyl 7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

  • CAS No. 104556-86-7

  • Cat. No. CS-0080440
  • Molecule weight207.19
  • Purity95+%
  • MDL No.MFCD12407816

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

Ethyl 7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate|CS-0080440

Structure of 104556-86-7

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General Information

  • CAS No. 104556-86-7
  • Cat. No. CS-0080440
  • Purity 95+%
  • MDL No. MFCD12407816
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O₃
  • Molecular Weight 207.19
  • Synonym(s) Ethyl 4,7-dihydro-7-oxopyrazolo[1,5-a]pyrimidine-3-carboxylate
  • SMILES O=C(C=CN1)N2C1=C(C(OCC)=O)C=N2

Synthesis

  • Route1
    • null|null
      141-78-6
    • In-stock
      1H-Pyrazole-4-carboxylic acid, 5-amino-, ethyl ester|CS-1262152
      1260243-04-6
    • null|null
      109-94-4
    • ~74%
    • Ethyl 7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate|CS-0080440
      104556-86-7

    References

    • Gavrin, Lori K.; Lee, Arthur; Provencher, Brian A.; Massefski, Walter W.; Huhn, Stephen D.; Ciszewski, Gregory M.; Cole, Derek C.; McKew, John C. Journal of Organic Chemistry, 2007 , vol. 72, # 3 p. 1043 - 1046
  • Route2

    References

    • Chu; Suh; Mesbah; Cutler Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 2 p. 349 - 352

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   76.46
  • LogP   0.1993
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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