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CS-W001157 4
Total: USD 88.00

4,6-Dichloropyrimidin-2(1H)-one

  • CAS No. 6297-80-9

  • Cat. No. CS-W006788
  • Molecule weight164.98
  • Purity≥97%
  • MDL No.MFCD09033880

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

4,6-Dichloropyrimidin-2(1H)-one|CS-W006788

Structure of 6297-80-9

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General Information

  • CAS No. 6297-80-9
  • Cat. No. CS-W006788
  • Purity ≥97%
  • MDL No. MFCD09033880
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂Cl₂N₂O
  • Molecular Weight 164.98
  • Synonym(s) 4,6-dichloro-1H-pyrimidin-2-one
  • SMILES O=C1N=C(Cl)C=C(Cl)N1

Description

4,6-Dichloropyrimidin-2(1H)-one serves as a pivotal electrophilic scaffold in heterocyclic synthesis, featuring two chlorine atoms at electron-deficient positions that enable efficient functionalization. This bench-stable compound integrates readily into nucleophilic substitution cascades, delivering diverse pyrimidine derivatives with high regiocontrol under mild conditions.

Application

4,6-Dichloropyrimidin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds through nucleophilic substitution. The dichloro substituents at C4 and C6 provide orthogonal reactivity for sequential functionalization, while the pyrimidinone core offers excellent bench stability and compatibility with common reaction conditions. Its well-defined regioselectivity facilitates the synthesis of targeted analogs in drug discovery campaigns.

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   45.75
  • LogP   1.0767
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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