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CS-W001157 4
Total: USD 88.00

1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one

  • CAS No. 887144-94-7

  • Cat. No. CS-W001669
  • Purity≥97%
  • MDL No.MFCD18800706

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

1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one|CS-W001669

Structure of 887144-94-7

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General Information

  • CAS No. 887144-94-7
  • Cat. No. CS-W001669
  • Purity ≥97%
  • MDL No. MFCD18800706
  • Storage -20°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃IO₂
  • Molecular Weight 316.02
  • Synonym(s) None
  • SMILES O=C1OI(C2=CC=CC=C12)C(F)(F)F

Description

1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one is a bench-stable hypervalent iodine reagent featuring a trifluoromethyl group that enables efficient C–CF₃ bond formation. This electrophilic trifluoromethylation agent integrates seamlessly into synthetic workflows, delivering high functional group tolerance and predictable reactivity under mild conditions.

Application

1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one serves as a stable, bench-ready hypervalent iodine reagent that enables efficient trifluoromethylation of diverse substrates. Its robust functional group tolerance and compatibility with standard reaction conditions facilitate direct C–H, O–H, and N–H trifluoromethylation. The reagent functions as a reliable source of the CF₃⁺ equivalent in synthetic workflows, offering high selectivity and ease of purification, making it ideal for medicinal chemistry and process development applications.

Synthesis

  • Route1

    References

    • Stanek, Kyrill; Koller, Raffael; Togni, Antonio Journal of Organic Chemistry, 2008 , vol. 73, # 19 p. 7678 - 7685
  • Route2
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    • ~56%
    • In-stock
      1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one|CS-W001669
      887144-94-7
    • null|null
      1825-61-2

    References

    • Eisenberger, Patrick; Gischig, Sebastian; Togni, Antonio Chemistry - A European Journal, 2006 , vol. 12, # 9 p. 2579 - 2586
  • Route3

    References

    • Angewandte Chemie - International Edition, , vol. 50, # 39 p. 9120 - 9123 Angewandte Chemie - International Edition, , vol. 51, # 12 p. 2947 - 2950

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335-H372
Precautionary Statements : P260-P264-P271-P302+P352-P305+P351+P338

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.9678
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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