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CS-W001157 4
Total: USD 88.00

4,5-Dichloro-6-methylpyrimidine

  • CAS No. 83942-10-3

  • Cat. No. CS-W019331
  • Purity≥95%
  • MDL No.MFCD09909763

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

4,5-Dichloro-6-methylpyrimidine|CS-W019331

Structure of 83942-10-3

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General Information

  • CAS No. 83942-10-3
  • Cat. No. CS-W019331
  • Purity ≥95%
  • MDL No. MFCD09909763
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄Cl₂N₂
  • Molecular Weight 163.01
  • Synonym(s) None
  • SMILES ClC1=NC=NC(=C1Cl)C

Description

4,5-Dichloro-6-methylpyrimidine is a chlorinated pyrimidine derivative featuring two chlorine atoms at the 4 and 5 positions and a methyl group at the 6 position. This electron-deficient heterocycle serves as a key building block in medicinal chemistry, enabling direct coupling reactions via its reactive halogen sites. The molecule exhibits bench-stable handling characteristics and integrates efficiently into complex synthetic pathways for targeted compound libraries.

Application

4,5-Dichloro-6-methylpyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds through nucleophilic substitution. The dichloro substituents provide orthogonal reactivity at C4 and C5 positions, facilitating sequential functionalization with diverse amines, thiols, or organometallic reagents. Its bench-stable nature and compatibility with standard coupling conditions make it well-suited for modular synthesis of bioactive molecules and heterocyclic intermediates.

Synthesis

  • Route1

    References

    • Yamanaka, Hiroshi; Sakamoto, Takao; Nishimura, Sumiko; Sagi, Mataichi Chemical and Pharmaceutical Bulletin, 1987 , vol. 35, # 8 p. 3119 - 3126

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
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   25.78
  • LogP   2.09182
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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