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CS-W001157 4
Total: USD 88.00

4-((tert-Butoxycarbonyl)amino)-1H-pyrazole-3-carboxylic acid

  • CAS No. 896466-71-0

  • Cat. No. CS-0051071
  • Purity≥95%
  • MDL No.MFCD17015895

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

4-((tert-Butoxycarbonyl)amino)-1H-pyrazole-3-carboxylic acid|CS-0051071

Structure of 896466-71-0

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General Information

  • CAS No. 896466-71-0
  • Cat. No. CS-0051071
  • Purity ≥95%
  • MDL No. MFCD17015895
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃N₃O₄
  • Molecular Weight 227.22
  • Synonym(s) 4-{[(tert-butoxy)carbonyl]amino}-1H-pyrazole-3-carboxylic acid
  • SMILES CC(C)(C)OC(=O)NC1=CNN=C1C(O)=O

Synthesis

  • Route1

    References

    • ASTEX THERAPEUTICS LIMITED Patent: WO2007/77435 A1, 2007 ; Location in patent: Page/Page column 238; 244 ; WO 2007/077435 A1
  • Route2

    References

    • ASTEX THERAPEUTICS LIMITED Patent: WO2008/1101 A2, 2008 ; Location in patent: Page/Page column 292; 298-299 ;
  • Route3
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • null|null
      122-42-9
    • ~%
    • In-stock
      4-((tert-Butoxycarbonyl)amino)-1H-pyrazole-3-carboxylic acid|CS-0051071
      896466-71-0

    References

    • ASTEX THERAPEUTICS LIMITED Patent: US2010/55094 A1, 2010 ;

Safety Information

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Computational Chemistry Data

  • TPSA   104.31
  • LogP   1.4549
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   2

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