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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)pyrazole

  • CAS No. 20154-03-4

  • Cat. No. CS-W009187
  • Purity≥97%
  • MDL No.MFCD00115018

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

3-(Trifluoromethyl)pyrazole|CS-W009187

Structure of 20154-03-4

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General Information

  • CAS No. 20154-03-4
  • Cat. No. CS-W009187
  • Purity ≥97%
  • MDL No. MFCD00115018
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃F₃N₂
  • Molecular Weight 136.08
  • Synonym(s) None
  • SMILES FC(F)(F)C1=NNC=C1

Description

3-(Trifluoromethyl)pyrazoles is a heterocyclic building block. It undergoes alkylation with alkyl iodides in DMF to afford the N-alkyl pyrazoles. It participates in the synthesis of disubstituted pyrimidines.3-(Trifluoromethyl)pyrazole may be used in copper-catalyzed pyrazole N-arylation. It may be used in the synthesis of sodium hydridotris(1H-3-trifluoromethylpyrazol-1-yl)borate by heating with sodium borohydride.

Synthesis

  • Route1
    • null|null
      59938-06-6
    • ~90%
    • In-stock
      3-(Trifluoromethyl)pyrazole|CS-W009187
      20154-03-4

    References

    • SOLVAY SA; BRAUN, Max Patent: WO2010/37688 A1, 2010 ; Location in patent: Page/Page column 8 ;
  • Route2
    • (Z)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one|CS-0677958
      910136-24-2
    • ~86%
    • In-stock
      3-(Trifluoromethyl)pyrazole|CS-W009187
      20154-03-4

    References

    • REDDY US THERAPEUTICS, INC.; PAL, Manojit; KHANNA, Ish; SUBRAMANIAN, Venkataraman; PADAKANTI, Srinivas; PILLARISETTI, Sivaram Patent: WO2006/58201 A2, 2006 ; Location in patent: Page/Page column 132 ;
  • Route3
    • In-stock
      Hydrazine monohydrochloride|CS-W019806
      2644-70-4
    • null|null
      59938-06-6
    • ~83%
    • In-stock
      3-(Trifluoromethyl)pyrazole|CS-W009187
      20154-03-4

    References

    • Idenix Pharmaceuticals, Inc. Patent: US2010/260710 A1, 2010 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   1.4285
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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