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CS-W001157 4
Total: USD 88.00

1,5-Dihydro-2H-pyrrolo[3,2-d]pyrimidine-2,4(3H)-dione

  • CAS No. 65996-50-1

  • Cat. No. CS-W003447
  • Purity≥98%
  • MDL No.MFCD08059275

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

1,5-Dihydro-2H-pyrrolo[3,2-d]pyrimidine-2,4(3H)-dione|CS-W003447

Structure of 65996-50-1

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General Information

  • CAS No. 65996-50-1
  • Cat. No. CS-W003447
  • Purity ≥98%
  • MDL No. MFCD08059275
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₃O₂
  • Molecular Weight 151.12
  • Synonym(s) 5H-Pyrrolo[3,2-d]pyrimidine-2,4-diol
  • SMILES O=c1[nH]c(=O)c2c([nH]1)cc[nH]2

Synthesis

  • Route1
    • (e)-6-(2-(Dimethylamino)vinyl)-5-nitropyrimidine-2,4(1h,3h)-dione|CS-0688050
      116705-41-0
    • ~65%
    • In-stock
      1,5-Dihydro-2H-pyrrolo[3,2-d]pyrimidine-2,4(3H)-dione|CS-W003447
      65996-50-1

    References

    • WO2009/62258 A1, ; Page/Page column 98 ; WO 2009/062258 A1
  • Route2
    • Ethyl 3-ureido-1H-pyrrole-2-carboxylate|CS-1164489
      939979-34-7
    • ~%
    • In-stock
      1,5-Dihydro-2H-pyrrolo[3,2-d]pyrimidine-2,4(3H)-dione|CS-W003447
      65996-50-1

    References

    • EP1956009 A1, ; Page/Page column 38 ;
  • Route3

    References

    • Pharmaceutical Chemistry Journal, , vol. 22, # 2 p. 135 - 141 Khimiko-Farmatsevticheskii Zhurnal, , vol. 22, # 2 p. 185 - 191

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   81.51
  • LogP   -0.4555
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   0

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