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CS-W001157 4
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4,6-Dichloro-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine

  • CAS No. 1072895-86-3

  • Cat. No. CS-0055067
  • Molecule weight217.06
  • Purity≥97%
  • MDL No.MFCD11869749

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

4,6-Dichloro-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine|CS-0055067

Structure of 1072895-86-3

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General Information

  • CAS No. 1072895-86-3
  • Cat. No. CS-0055067
  • Purity ≥97%
  • MDL No. MFCD11869749
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆Cl₂N₄
  • Molecular Weight 217.06
  • Synonym(s) 4,6-dichloro-1,3-dimethylpyrazolo[3,4-d]pyrimidine
  • SMILES CC1=NN(C)C2=NC(Cl)=NC(Cl)=C21

Synthesis

  • Route1
    • 1,3-Dimethyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4,6(5H)-dione|CS-0930047
      1072895-79-4
    • ~63%
    • 4,6-Dichloro-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine|CS-0055067
      1072895-86-3

    References

    • GENENTECH, INC.; F. HOFFMANN-LA ROCHE AG Patent: WO2009/97446 A1, 2009 ; Location in patent: Page/Page column 65; 66 ; WO 2009/097446 A1
  • Route2

    References

    • US2008/132490 A1, ; Page/Page column 24 ; US 20080132490 A1

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   43.6
  • LogP   1.97852
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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