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CS-W001157 4
Total: USD 88.00

4-Iodo-3-trifluoromethylbenzoic acid

  • CAS No. 914636-20-7

  • Cat. No. CS-0041030
  • Molecule weight316.02
  • Purity≥97%
  • MDL No.MFCD09258947

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

4-Iodo-3-trifluoromethylbenzoic acid|CS-0041030

Structure of 914636-20-7

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General Information

  • CAS No. 914636-20-7
  • Cat. No. CS-0041030
  • Purity ≥97%
  • MDL No. MFCD09258947
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃IO₂
  • Molecular Weight 316.02
  • Synonym(s) 4-IODO-3-TRIFLUOROMETHYL-BENZOIC ACID
  • SMILES O=C(O)C1=CC=C(I)C(C(F)(F)F)=C1

Description

4-Iodo-3-trifluoromethylbenzoic acid features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the iodo substituent enables efficient palladium-catalyzed cross-coupling. This ortho-directed functionality facilitates rapid diversification in synthetic routes to bioactive molecules.

Application

4-Iodo-3-trifluoromethylbenzoic acid serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient access to biaryl and heteroaryl architectures. The carboxylic acid functionality facilitates direct derivatization or incorporation into pharmaceutical scaffolds, while the iodo and trifluoromethyl groups offer orthogonal reactivity for sequential functionalization. Bench-stable and compatible with standard synthetic protocols, it functions reliably in Suzuki, Stille, and Sonogashira coupling workflows.

Synthesis

  • Route1
    • 4-Amino-3-(trifluoromethyl)benzoic acid|CS-0157133
      400-76-0
    • ~84%
    • In-stock
      4-Iodo-3-trifluoromethylbenzoic acid|CS-0041030
      914636-20-7

    References

    • ELI LILLY AND COMPANY Patent: WO2007/140174 A2, 2007 ; Location in patent: Page/Page column 42 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.0082
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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