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3,7-Dihydro-1,3-dimethyl-7-propyl-1H-purine-2,6-dione

  • CAS No. 27760-74-3

  • Cat. No. CS-0256423
  • Purity≥98%
  • MDL No.None

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

3,7-Dihydro-1,3-dimethyl-7-propyl-1H-purine-2,6-dione|CS-0256423

Structure of 27760-74-3

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General Information

  • CAS No. 27760-74-3
  • Cat. No. CS-0256423
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄N₄O₂
  • Molecular Weight 222.24
  • Synonym(s) Theophylline, n-propyl derivative
  • SMILES CCCN1C=NC2=C1C(=O)N(C)C(=O)N2C

Synthesis

  • Route1

    References

    • Malakar, Chandi C.; Schmidt, Dietmar; Conrad, Juergen; Beifuss, Uwe Organic Letters, 2011 , vol. 13, # 6 p. 1378 - 1381
  • Route2

    References

    • Daly, J. W.; Padgett, W. L.; Shamim, M. T. Journal of Medicinal Chemistry, 1986 , vol. 29, # 7 p. 1305 - 1308
  • Route3
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      107-08-4
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    • 3,7-Dihydro-1,3-dimethyl-7-propyl-1H-purine-2,6-dione|CS-0256423
      27760-74-3

    References

    • Yanuka, Yehuda; Zahalka, Jamal; Donbrow, Max Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1986 , p. 911 - 916

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   61.82
  • LogP   -0.1563
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   2

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