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CS-W001157 4
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4-Hydroxyisophthalic acid

  • CAS No. 636-46-4

  • Cat. No. CS-M1087
  • Purity≥98%
  • MDL No.MFCD00010391

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

4-Hydroxyisophthalic acid|CS-M1087

Structure of 636-46-4

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General Information

  • CAS No. 636-46-4
  • Cat. No. CS-M1087
  • Purity ≥98%
  • MDL No. MFCD00010391
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆O₅
  • Molecular Weight 182.13
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(C(O)=O)=CC=C1O

Description

Natural occurrence: Mentha species.

Application

4-Hydroxyisophthalic acid serves as a versatile building block in the synthesis of functionalized aromatic systems and heterocyclic scaffolds. Its ortho-dicarboxylic acid framework enables efficient metal coordination and derivatization, while the phenolic hydroxyl group offers reliable regioselective transformations. The compound exhibits excellent bench stability and facilitates straightforward purification via recrystallization, making it well-suited for use in medicinal chemistry and materials development workflows.

Synthesis

  • Route1

    References

    • LegoChem Biosciences, Inc.; CHO, Young Lag; YUN, Joung Yul; PARK, Chul Soon; CHAE, Sang Eun; LEE, Hyang Sook; OH, Kyuman; HEO, Hye Jin; KANG, Dae Hyuck; YANG, Young Jae; KWON, Hyun Jin; PARK, Tae Kyo; WOO, Sung Ho; KIM, Yong Zu Patent: EP2706062 A2, 2014 ; Location in patent: Paragraph 0141 ;
  • Route2
    • null|null
      63296-13-9
    • ~95%
    • In-stock
      4-Hydroxyisophthalic acid|CS-M1087
      636-46-4

    References

    • Sala, Roberto; Doria, Gianfederico; Passarotti, Carlo Tetrahedron Letters, 1984 , vol. 25, # 40 p. 4565 - 4568
  • Route3

    References

    • US3933807 A1, ;

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   94.83
  • LogP   0.7886
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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