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CS-W001157 4
Total: USD 88.00

3-Iodophthalic acid

  • CAS No. 6937-34-4

  • Cat. No. CS-0041130
  • Purity≥97%
  • MDL No.MFCD00275568

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

3-Iodophthalic acid|CS-0041130

Structure of 6937-34-4

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General Information

  • CAS No. 6937-34-4
  • Cat. No. CS-0041130
  • Purity ≥97%
  • MDL No. MFCD00275568
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅IO₄
  • Molecular Weight 292.03
  • Synonym(s) NSC 42518
  • SMILES O=C(C1=CC=CC(I)=C1C(O)=O)O

Description

3-Iodophthalic acid features a rigid aromatic core with strategically positioned iodine and carboxylic acid groups, enabling direct functionalization in cross-coupling reactions. The para-iodo substituent facilitates palladium-catalyzed transformations, while the adjacent dicarboxylate motif offers versatile anchoring points for metal coordination or polymer integration under standard conditions.

Application

3-Iodophthalic acid serves as a versatile building block for the synthesis of iodinated aromatic scaffolds and heterocycles. Its dual carboxylic acid functionality enables straightforward derivatization, while the ortho-iodine substituent facilitates palladium-catalyzed cross-coupling reactions. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for use in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • 3-Aminophthalic acid|CS-M2811
      5434-20-8
    • ~61%
    • In-stock
      3-Iodophthalic acid|CS-0041130
      6937-34-4

    References

    • Kyowa Hakko Kirin Co., Ltd. Patent: EP2108642 A1, 2009 ; Location in patent: Page/Page column 110 ;
  • Route2
    • Dimethyl 3-iodophthalate|CS-0509347
      102928-38-1
    • ~90%
    • In-stock
      3-Iodophthalic acid|CS-0041130
      6937-34-4

    References

    • Vinod, Thottumkara K.; Thottumkara, Arun P. Patent: US2004/30187 A1, 2004 ; Location in patent: Page 2; Sheet 1 ;
  • Route3

    References

    • Soucy, C.; Favreau, D.; Kayser, M. M. Journal of Organic Chemistry, 1987 , vol. 52, # 1 p. 129 - 134

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   74.6
  • LogP   1.6876
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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