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CS-W001157 4
Total: USD 88.00

1-Benzyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione Pentoxifylline Impurity

  • CAS No. 55247-90-0

  • Cat. No. CS-0531986
  • Molecule weight270.29
  • Purity≥98%
  • MDL No.None

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

1-Benzyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione Pentoxifylline Impurity|CS-0531986

Structure of 55247-90-0

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General Information

  • CAS No. 55247-90-0
  • Cat. No. CS-0531986
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄N₄O₂
  • Molecular Weight 270.29
  • Synonym(s) 1-Benzyltheobromine
  • SMILES O=C1C2=C(N(C)C(N1CC3=CC=CC=C3)=O)N=CN2C

Synthesis

  • Route1
    • Theobromine Aminophylline  Impurity|CS-0228790
      83-67-0
    • null|null
      100-44-7
    • ~80%
    • 1-Benzyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione Pentoxifylline Impurity|CS-0531986
      55247-90-0

    References

    • Hedayatullah, Mir Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 249 - 251
  • Route2
    • Theobromine Aminophylline  Impurity|CS-0228790
      83-67-0
    • null|null
      100-39-0
    • ~%
    • 1-Benzyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione Pentoxifylline Impurity|CS-0531986
      55247-90-0

    References

    • Fujii; Saito; Tamura Chemical and Pharmaceutical Bulletin, 1991 , vol. 39, # 11 p. 2855 - 2862
  • Route3
    • null|null
      64995-64-8
    • ~%
    • 1-Benzyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione Pentoxifylline Impurity|CS-0531986
      55247-90-0

    References

    • Fujii; Saito; Tamura Chemical and Pharmaceutical Bulletin, 1991 , vol. 39, # 11 p. 2855 - 2862

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   61.82
  • LogP   0.482
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   2

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