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CS-W001157 4
Total: USD 88.00

1,5-Dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

  • CAS No. 5655-01-6

  • Cat. No. CS-M1569
  • Purity≥98%
  • MDL No.MFCD09037890

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

1,5-Dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one|CS-M1569

Structure of 5655-01-6

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General Information

  • CAS No. 5655-01-6
  • Cat. No. CS-M1569
  • Purity ≥98%
  • MDL No. MFCD09037890
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₃O
  • Molecular Weight 135.12
  • Synonym(s) 1,5-Dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one; 3H-Pyrrolo[3,2-d]pyrimidin-4(5H)-one; Dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, 1,5-
  • SMILES OC1=C2C(C=CN2)=NC=N1

Synthesis

  • Route1
    • 3H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4,5-dihydro-4-oxo-, methyl ester|CS-0016274
      779326-74-8
    • ~89%
    • In-stock
      1,5-Dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one|CS-M1569
      5655-01-6

    References

    • Kamath, Vivekanand P.; Juarez-Brambila, Jesus J.; Morris, Christopher B.; Winslow, Christopher D.; Morris Jr., Philip E. Organic Process Research and Development, 2009 , vol. 13, # 5 p. 928 - 932
  • Route2
    • null|null
      118721-29-2
    • ~79%
    • In-stock
      1,5-Dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one|CS-M1569
      5655-01-6

    References

    • Ektova, L. V.; Preobrazhenskaya, M. N. Pharmaceutical Chemistry Journal, 1988 , vol. 22, # 7 p. 572 - 574 Khimiko-Farmatsevticheskii Zhurnal, 1988 , vol. 22, # 7 p. 860 - 863
  • Route3
    • 4-Oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid|CS-0672993
      84905-79-3
    • ~65%
    • In-stock
      1,5-Dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one|CS-M1569
      5655-01-6

    References

    • Sizova, O. S.; Britikova, N. E.; Novitskii, K. Yu.; Shcherbakova, L. I.; Pershin, G. N.; et al. Pharmaceutical Chemistry Journal, 1982 , vol. 16, # 11 p. 834 - 838 Khimiko-Farmatsevticheskii Zhurnal, 1982 , vol. 16, # 11 p. 1338 - 1343

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

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Computational Chemistry Data

  • TPSA   61.8
  • LogP   0.6635
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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