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4-Methoxyisophthalic acid

  • CAS No. 2206-43-1

  • Cat. No. CS-0018887
  • Purity≥97%
  • MDL No.MFCD06208422

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

4-Methoxyisophthalic acid|CS-0018887

Structure of 2206-43-1

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General Information

  • CAS No. 2206-43-1
  • Cat. No. CS-0018887
  • Purity ≥97%
  • MDL No. MFCD06208422
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₅
  • Molecular Weight 196.16
  • Synonym(s) 4-Methoxy-1,3-benzenedicarboxylic acid
  • SMILES O=C(O)C1=CC=C(OC)C(=C1)C(=O)O

Description

Indole is a nitrogen-containing heterocycle used in the total synthesis of compounds such as goniomitine, ()-isatisine A, and ()-aspidospermidine.It is used as an electron donor moiety in synthesizing dyes for organic photovoltaics.It can also be used in the preparation of indole based conjugated small molecules for nonlinear optics applications.

Application

4-Methoxyisophthalic acid serves as a versatile building block in the synthesis of functionalized aromatic systems and heterocyclic scaffolds. Its ortho-dicarboxylic acid functionality enables efficient coupling reactions, including amidation and esterification, while the methoxy group provides moderate electron donation and enhances solubility. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for applications in medicinal chemistry, polymer science, and materials development.

Synthesis

  • Route1

    References

    • Chemische Berichte, , vol. 11, p. 900 Chemische Berichte, , vol. 13, p. 1554 Journal of the American Chemical Society, , vol. 72, p. 1982,1983
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 70, p. 1249,1250
  • Route3
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      15471-26-8
    • ~%
    • In-stock
      4-Methoxyisophthalic acid|CS-0018887
      2206-43-1

    References

    • Journal of the American Chemical Society, , vol. 72, p. 1982,1983

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   83.83
  • LogP   1.0916
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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