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CS-W001157 4
Total: USD 88.00

4-Chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one

  • CAS No. 346599-63-1

  • Cat. No. CS-0050917
  • Purity≥95%
  • MDL No.None

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

4-Chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one|CS-0050917

Structure of 346599-63-1

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General Information

  • CAS No. 346599-63-1
  • Cat. No. CS-0050917
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClN₃O
  • Molecular Weight 169.57
  • Synonym(s) C6H4ClN3O 169.57
  • SMILES ClC1=C2CC(=O)NC2=NC=N1

Description

1,3-Bis(trifluoromethyl)-5-bromobenzene is used to prepare the tetrakis[3,5-bis(trifluoromethyl)phenyl]borate ion, which acts as a stabilizing counterion for electrophilic organic and organometallic cations.

Application

4-Chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one serves as a versatile building block in medicinal chemistry, enabling efficient access to purine-based scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its high bench stability, functional group tolerance, and compatibility with standard synthetic protocols make it ideal for constructing heterocyclic intermediates in API development and kinase inhibitor research.

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   54.88
  • LogP   0.6246
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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