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CS-W001157 4
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3-Benzyl-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine

  • CAS No. 21410-06-0

  • Cat. No. CS-0112434
  • Molecule weight245.67
  • Purity98+%
  • MDL No.MFCD09038669

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

3-Benzyl-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine|CS-0112434

Structure of 21410-06-0

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General Information

  • CAS No. 21410-06-0
  • Cat. No. CS-0112434
  • Purity 98+%
  • MDL No. MFCD09038669
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈ClN₅
  • Molecular Weight 245.67
  • Synonym(s) 3-benzyl-7-chlorotriazolo[4,5-d]pyrimidine
  • SMILES ClC1=C(N=NN2CC3=CC=CC=C3)C2=NC=N1

Synthesis

  • Route1
    • 3-Benzyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one|CS-0073221
      21324-31-2
    • ~42%
    • 3-Benzyl-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine|CS-0112434
      21410-06-0

    References

    • Vasopharm Biotech GmbH Patent: EP1598354 A1, 2005 ; Location in patent: Page/Page column 88 ;
  • Route2
    • 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(phenylmethyl)-|CS-0033868
      4342-08-9
    • ~%
    • 3-Benzyl-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine|CS-0112434
      21410-06-0

    References

    • Bioorganic and Medicinal Chemistry, , vol. 13, # 15 p. 4679 - 4693
  • Route3
    • null|null
      622-79-7
    • ~%
    • 3-Benzyl-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine|CS-0112434
      21410-06-0

    References

    • Bioorganic and Medicinal Chemistry, , vol. 13, # 15 p. 4679 - 4693

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   56.49
  • LogP   1.923
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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