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CS-W001157 4
Total: USD 88.00

2,4-Dichloro-6-(trifluoromethyl)pyrimidine

  • CAS No. 16097-64-6

  • Cat. No. CS-W004717
  • Purity≥97%
  • MDL No.MFCD09910264

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

2,4-Dichloro-6-(trifluoromethyl)pyrimidine|CS-W004717

Structure of 16097-64-6

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General Information

  • CAS No. 16097-64-6
  • Cat. No. CS-W004717
  • Purity ≥97%
  • MDL No. MFCD09910264
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅HCl₂F₃N₂
  • Molecular Weight 216.98
  • Synonym(s) pyrimidine, 2,4-dichloro-6-(trifluoromethyl)-
  • SMILES C1=C(N=C(Cl)N=C1Cl)C(F)(F)F

Description

2,4-Dichloro-6-(trifluoromethyl)pyrimidine features a strongly electron-deficient pyrimidine core stabilized by the trifluoromethyl group, enabling selective nucleophilic substitution under mild conditions. This reactivity profile supports efficient coupling in pharmaceutical intermediates and agrochemical synthesis, particularly where halogen-labile sites are required for downstream functionalization.

Application

2,4-Dichloro-6-(trifluoromethyl)pyrimidine serves as a versatile building block in medicinal chemistry, enabling nucleophilic substitution reactions at the C2 and C4 positions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the dichloro substituents provide high reactivity for constructing complex heterocyclic scaffolds. The compound exhibits excellent bench stability and facilitates efficient functionalization under standard coupling conditions, making it well-suited for API development and process-scale synthesis.

Synthesis

  • Route1

    References

    • Gershon, Herman; Grefig, Anthony T.; Clarke, Donald D Journal of Heterocyclic Chemistry, 1987 , vol. 24, p. 1243 - 1247
  • Route2
    • null|null
      85730-34-3
    • ~71%
    • In-stock
      2,4-Dichloro-6-(trifluoromethyl)pyrimidine|CS-W004717
      16097-64-6

    References

    • Gershon; Grefig; Scala Journal of Heterocyclic Chemistry, 1983 , vol. 20, # 1 p. 219 - 223
  • Route3
    • null|null
      85730-37-6
    • ~81%
    • In-stock
      2,4-Dichloro-6-(trifluoromethyl)pyrimidine|CS-W004717
      16097-64-6

    References

    • Gershon; Grefig; Scala Journal of Heterocyclic Chemistry, 1983 , vol. 20, # 1 p. 219 - 223

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   25.78
  • LogP   2.8022
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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