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CS-W001157 4
Total: USD 88.00

2,4,6-Trichloro-5-fluoropyrimidine

  • CAS No. 6693-08-9

  • Cat. No. CS-W006901
  • Purity≥95%
  • MDL No.MFCD11040435

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

2,4,6-Trichloro-5-fluoropyrimidine|CS-W006901

Structure of 6693-08-9

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General Information

  • CAS No. 6693-08-9
  • Cat. No. CS-W006901
  • Purity ≥95%
  • MDL No. MFCD11040435
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄Cl₃FN₂
  • Molecular Weight 201.41
  • Synonym(s) pyrimidine, 2,4,6-trichloro-5-fluoro-
  • SMILES FC1=C(Cl)N=C(Cl)N=C1Cl

Description

2,4,6-Trichloro-5-fluoropyrimidine serves as a pivotal electrophilic building block in heterocyclic synthesis, featuring three chlorines and a fluorine substituent that enable selective functionalization. The electron-deficient pyrimidine core facilitates nucleophilic substitution under mild conditions, while the fluorine enhances reactivity and metabolic stability in bioactive molecule design.

Application

2,4,6-Trichloro-5-fluoropyrimidine serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrimidines via nucleophilic substitution. The orthogonal reactivity of chlorine and fluorine substituents facilitates sequential functionalization under mild conditions. Its bench-stable nature and compatibility with diverse nucleophiles make it well-suited for medicinal chemistry campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • WO2011/50200 A1, ; Page/Page column 90 ; WO 2011/050200 A1
  • Route2
    • null|null
      767-79-3
    • ~13%
    • null|null
      96819-50-0
    • null|null
      96819-51-1
    • In-stock
      2,4,6-Trichloro-5-fluoropyrimidine|CS-W006901
      6693-08-9

    References

    • Journal of Fluorine Chemistry, , vol. 45, p. 417 - 430
  • Route3
    • null|null
      96819-51-1
    • ~60%
    • In-stock
      2,4,6-Trichloro-5-fluoropyrimidine|CS-W006901
      6693-08-9

    References

    • Baasner, B.; Klauke, E. Journal of Fluorine Chemistry, 1989 , vol. 45, p. 417 - 430

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS05
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H314-H317-H318
Precautionary Statements : P261-P272-P280-P302+P352-P333+P317-P362+P364-P260-P264-P270-P280-P301+P310-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.5759
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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