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CS-W001157 4
Total: USD 88.00

6-Chloropyrimidin-4(1H)-one

  • CAS No. 4765-77-9

  • Cat. No. CS-W002541
  • Purity≥97%
  • MDL No.MFCD00233957

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

6-Chloropyrimidin-4(1H)-one|CS-W002541

Structure of 4765-77-9

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General Information

  • CAS No. 4765-77-9
  • Cat. No. CS-W002541
  • Purity ≥97%
  • MDL No. MFCD00233957
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃ClN₂O
  • Molecular Weight 130.53
  • Synonym(s) 6-Chloropyrimidin-4(3H)-one
  • SMILES O=c1nc[nH]c(c1)Cl

Description

6-Chloropyrimidin-4(1H)-one delivers a reactive chloro substituent at the C6 position, enabling direct nucleophilic substitution under mild conditions. This bench-stable heterocycle integrates readily into pharmaceutical scaffolds, where its electron-deficient pyrimidine core enhances binding affinity and metabolic stability in target-directed synthesis.

Application

6-Chloropyrimidin-4(1H)-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C4 position via nucleophilic substitution. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient synthesis of pyrimidine-based scaffolds. The compound functions as a key intermediate in constructing heterocyclic cores found in pharmaceuticals and agrochemicals, with excellent tolerance for common protecting groups and reaction partners.

Safety Information

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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   0.4233
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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