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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 39890-98-7

  • Cat. No. CS-W007641
  • Purity≥98%
  • MDL No.MFCD00042246

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

2,6-Dichloro-4-(trifluoromethyl)pyridine|CS-W007641

Structure of 39890-98-7

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General Information

  • CAS No. 39890-98-7
  • Cat. No. CS-W007641
  • Purity ≥98%
  • MDL No. MFCD00042246
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂Cl₂F₃N
  • Molecular Weight None
  • Synonym(s) 2,6-Dichloro-4-trifluoromethylpyridine
  • SMILES C1=C(C=C(Cl)N=C1Cl)C(F)(F)F

Description

2,6-Dichloro-4-(trifluoromethyl)pyridine features a pyridine core with electron-withdrawing chlorine and trifluoromethyl groups positioned for enhanced electrophilicity. This combination enables efficient coupling reactions in pharmaceutical synthesis, particularly in constructing heterocyclic scaffolds under mild conditions. The molecule exhibits good stability and solubility in common organic solvents, facilitating handling in process development workflows.

Application

2,6-Dichloro-4-(trifluoromethyl)pyridine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of functionalized heterocycles. Its electron-deficient pyridine core facilitates nucleophilic substitution reactions at C2 and C6 positions, while the trifluoromethyl group enhances metabolic stability and lipophilicity. The compound exhibits good bench stability and is compatible with standard coupling protocols, simplifying purification and scale-up.

Synthesis

  • Route1
    • 4-(Trifluoromethyl)piperidine-2,6-dione|CS-0077345
      356518-29-1
    • ~65%
    • In-stock
      2,6-Dichloro-4-(trifluoromethyl)pyridine|CS-W007641
      39890-98-7

    References

    • Jiang, Biao; Xiong, Wennan; Zhang, Xiaobing; Zhang, Fangjiang Organic Process Research and Development, 2001 , vol. 5, # 5 p. 531 - 534
  • Route2
    • 4-(Trifluoromethyl)hepta-1,6-dien-4-ol|CS-0876369
      36610-32-9
    • ~%
    • In-stock
      2,6-Dichloro-4-(trifluoromethyl)pyridine|CS-W007641
      39890-98-7

    References

    • Jiang, Biao; Xiong, Wennan; Zhang, Xiaobing; Zhang, Fangjiang Organic Process Research and Development, 2001 , vol. 5, # 5 p. 531 - 534
  • Route3
    • 3-(Trifluoromethyl)pentanedioic acid|CS-0700160
      4162-55-4
    • ~%
    • In-stock
      2,6-Dichloro-4-(trifluoromethyl)pyridine|CS-W007641
      39890-98-7

    References

    • Jiang, Biao; Xiong, Wennan; Zhang, Xiaobing; Zhang, Fangjiang Organic Process Research and Development, 2001 , vol. 5, # 5 p. 531 - 534

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   3.4072
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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