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CS-W001157 4
Total: USD 88.00

4,6-Dihydroxy-5-methylisophthalaldehyde

  • CAS No. 22304-67-2

  • Cat. No. CS-0170494
  • Purity≥98%
  • MDL No.None

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

4,6-Dihydroxy-5-methylisophthalaldehyde|CS-0170494

Structure of 22304-67-2

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General Information

  • CAS No. 22304-67-2
  • Cat. No. CS-0170494
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight 180.16
  • Synonym(s) 4,6-Dihydroxy-5-methyl-1,3-diformyl benzene
  • SMILES O=CC1=C(O)C(C)=C(O)C(C=O)=C1

Description

4,6-Dihydroxy-5-methylisophthalaldehyde features a uniquely functionalized aromatic core with two hydroxyl groups and one methyl substituent flanking an aldehyde moiety. This configuration enables selective conjugation in bioconjugation workflows and facilitates integration into dynamic covalent architectures. The molecule exhibits enhanced solubility in polar solvents and stability under standard bench conditions.

Application

4,6-Dihydroxy-5-methylisophthalaldehyde serves as a versatile building block in synthetic organic chemistry, enabling the construction of complex heterocyclic scaffolds and functionalized aromatic systems. Its ortho-diol and aldehyde functionalities offer complementary reactivity for selective protection, cyclization, and coupling reactions, with demonstrated utility in medicinal chemistry and materials synthesis. The methyl group enhances metabolic stability and modulates electronic properties. This compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for multi-step syntheses and scale-up applications.

Synthesis

  • Route1
    • null|null
      100-97-0
    • In-stock
      2-Methylresorcinol|CS-W013532
      608-25-3
    • ~58%
    • In-stock
      4,6-Dihydroxy-5-methylisophthalaldehyde|CS-0170494
      22304-67-2

    References

    • Voloshin; Soloveva; Bezugliy; Metelitsa; Minkin Chemistry of Heterocyclic Compounds, 2012 , vol. 48, # 9 p. 1361 - 1370 Khim. Geterotsikl. Soedin., 2012 , vol. 48, # 9 p. 1460 - 1470,11
  • Route2
    • null|null
      22304-74-1
    • ~%
    • In-stock
      4,6-Dihydroxy-5-methylisophthalaldehyde|CS-0170494
      22304-67-2

    References

    • Tetrahedron, , vol. 57, # 17 p. 3657 - 3671
  • Route3

    References

    • Tetrahedron, , vol. 57, # 17 p. 3657 - 3671

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.03122
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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