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CS-W001157 4
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3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • CAS No. 54738-73-7

  • Cat. No. CS-W005605
  • Purity≥97%
  • MDL No.None

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

3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one|CS-W005605

Structure of 54738-73-7

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General Information

  • CAS No. 54738-73-7
  • Cat. No. CS-W005605
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃BrN₄O
  • Molecular Weight 215.01
  • Synonym(s) NSC 344532
  • SMILES O=C1N=CN=C2NNC(=C12)Br

Description

3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one is a brominated heterocyclic scaffold featuring a pyrazolopyrimidinone core with high functional group tolerance. This compound serves as a key intermediate in the synthesis of kinase inhibitors and other bioactive molecules, offering excellent stability under standard reaction conditions.

Application

3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one serves as a versatile building block for the synthesis of purine-based heterocycles and kinase inhibitor scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the pyrazolopyrimidinone core provides a stable, electron-deficient platform for further functionalization. Its bench-stable crystalline form facilitates handling and purification in multi-step synthetic sequences.

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   74.43
  • LogP   0.3603
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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