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Ethyl 7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

  • CAS No. 29274-18-8

  • Cat. No. CS-0080415
  • Molecule weight207.19
  • Purity≥97%
  • MDL No.MFCD00104600

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

Ethyl 7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate|CS-0080415

Structure of 29274-18-8

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General Information

  • CAS No. 29274-18-8
  • Cat. No. CS-0080415
  • Purity ≥97%
  • MDL No. MFCD00104600
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O₃
  • Molecular Weight 207.19
  • Synonym(s) Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-7-oxo-, ethyl ester
  • SMILES O=C(C(C(OCC)=O)=CN1)N2C1=CC=N2

Synthesis

  • Route1
    • null|null
      29274-17-7
    • ~57%
    • Ethyl 7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate|CS-0080415
      29274-18-8

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2009/76593 A1, 2009 ; Location in patent: Page/Page column 50 ; WO 2009/076593 A1
  • Route2

    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
  • Route3

    References

    • Lager, Erik; Andersson, Pierre; Nilsson, Jakob; Pettersson, Ingrid; Nielsen, Elsebet stergaard; Nielsen, Mogens; Sterner, Olov; Liljefors, Tommy Journal of Medicinal Chemistry, 2006 , vol. 49, # 8 p. 2526 - 2533

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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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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