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CS-W001157 4
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5-Methoxyisophthalic acid

  • CAS No. 46331-50-4

  • Cat. No. CS-W010604
  • Purity≥97%
  • MDL No.MFCD00272364

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

5-Methoxyisophthalic acid|CS-W010604

Structure of 46331-50-4

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General Information

  • CAS No. 46331-50-4
  • Cat. No. CS-W010604
  • Purity ≥97%
  • MDL No. MFCD00272364
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₅
  • Molecular Weight 196.16
  • Synonym(s) Nsc302547
  • SMILES O=C(O)C1=CC(OC)=CC(=C1)C(=O)O

Description

5-Methoxyisophthalic acid features a para-substituted aromatic core with strategically positioned carboxylic acid and methoxy groups, enabling versatile conjugation in polymer synthesis and bioconjugation. This bench-stable diacid integrates readily into functional materials under standard conditions.

Application

5-Methoxyisophthalic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized aromatic scaffolds through standard esterification, amidation, and coupling reactions. Its ortho-dicarboxylic acid framework provides high reactivity for amide and ester formation, while the methoxy substituent offers moderate electron-donating character and enhanced solubility. The compound exhibits good bench stability and facilitates purification via recrystallization, making it well-suited for use in medicinal chemistry campaigns and materials synthesis.

Synthesis

  • Route1

    References

    • Dmowski, Wojciech; Piasecka-Maciejewska, Krystyna Journal of Fluorine Chemistry, 1996 , vol. 81, # 1 p. 59 - 63
  • Route2

    References

    • Dmowski, Wojciech; Piasecka-Maciejewska, Krystyna Journal of Fluorine Chemistry, 1996 , vol. 81, # 1 p. 59 - 63
  • Route3

    References

    • McKenzie; Hassen Tetrahedron Letters, 1987 , vol. 28, # 23 p. 2563 - 2566

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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