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CS-W001157 4
Total: USD 88.00

4-Iodophenyl trifluoromethanesulfonate

  • CAS No. 109586-39-2

  • Cat. No. CS-0196502
  • Purity≥97%
  • MDL No.None

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

4-Iodophenyl trifluoromethanesulfonate|CS-0196502

Structure of 109586-39-2

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General Information

  • CAS No. 109586-39-2
  • Cat. No. CS-0196502
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃IO₃S
  • Molecular Weight 352.07
  • Synonym(s) trifluoro-methanesulfonic acid 4-iodo-phenyl-ester
  • SMILES C1=C(C=CC(=C1)OS(=O)(=O)C(F)(F)F)I

Description

4-Iodophenyl trifluoromethanesulfonate serves as a robust arylating agent in transition-metal-catalyzed cross-coupling reactions. The triflate group enables efficient palladium-mediated coupling, while the iodine moiety provides complementary reactivity. This bifunctional electrophile facilitates sequential transformations and streamlines synthetic sequences in complex molecule assembly.

Application

4-Iodophenyl trifluoromethanesulfonate serves as a reliable arylating agent in palladium-catalyzed cross-coupling reactions, enabling efficient C–C and C–heteroatom bond formation. Its triflate group provides high reactivity and stability under standard reaction conditions, while the iodide functionality allows for orthogonal coupling strategies. The compound exhibits excellent bench stability, facilitates straightforward purification, and is compatible with diverse functional groups, making it a practical choice for constructing complex molecular architectures in medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.5196
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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