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CS-W001157 4
Total: USD 88.00

6-Chloro-5-fluoro-2-methylpyrimidin-4(3H)-one

  • CAS No. 105806-14-2

  • Cat. No. CS-0161396
  • Purity≥98%
  • MDL No.MFCD23099034

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

6-Chloro-5-fluoro-2-methylpyrimidin-4(3H)-one|CS-0161396

Structure of 105806-14-2

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General Information

  • CAS No. 105806-14-2
  • Cat. No. CS-0161396
  • Purity ≥98%
  • MDL No. MFCD23099034
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄ClFN₂O
  • Molecular Weight 162.55
  • Synonym(s) 6-Chloro-5-fluoro-2-methylpyrimidin-4-ol
  • SMILES O=C1NC(C)=NC(Cl)=C1F

Description

6-Chloro-5-fluoro-2-methylpyrimidin-4(3H)-one features a highly functionalized pyrimidinone core with orthogonal halogen and methyl substituents. This electron-deficient scaffold enables selective coupling in cross-coupling and nucleophilic substitution reactions, offering reliable access to complex heterocyclic architectures under standard conditions.

Application

6-Chloro-5-fluoro-2-methylpyrimidin-4(3H)-one serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based pharmacophores. Its orthogonal halogenation pattern facilitates palladium-catalyzed cross-coupling and nucleophilic substitution reactions, while the enolizable carbonyl and methyl group support further functionalization. The compound exhibits excellent bench stability and compatibility with standard purification techniques, making it well-suited for modular synthesis of heterocyclic APIs and agrochemical intermediates.

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   0.87082
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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