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CS-W001157 4
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4-Methylbenzene-1,3-diol

  • CAS No. 496-73-1

  • Cat. No. CS-W005468
  • Purity≥97%
  • MDL No.MFCD00016452

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

4-Methylbenzene-1,3-diol|CS-W005468

Structure of 496-73-1

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General Information

  • CAS No. 496-73-1
  • Cat. No. CS-W005468
  • Purity ≥97%
  • MDL No. MFCD00016452
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈O₂
  • Molecular Weight 124.14
  • Synonym(s) 4-Methylresorcinol
  • SMILES OC1=CC=C(C)C(O)=C1

Description

4-Methylbenzene-1,3-diol features a phenolic backbone with strategically positioned hydroxyl groups and a methyl substituent, conferring enhanced solubility and stability under standard conditions. This configuration supports efficient participation in oxidation and coupling reactions, making it valuable for synthesizing functionalized aromatic intermediates in medicinal chemistry and materials science applications.

Application

4-Methylbenzene-1,3-diol serves as a versatile phenolic building block in synthetic organic chemistry, enabling efficient access to substituted aromatics and heterocycles. Its ortho-dihydroxy functionality facilitates metal-catalyzed couplings and oxidative cyclizations, while the methyl group provides a handle for selective functionalization. The compound exhibits good bench stability and is compatible with common protecting group strategies, making it valuable for medicinal chemistry and materials synthesis workflows.

Synthesis

  • Route1

    References

    • Xie; Takeuchi; Cosentino; McPhail; Lee Journal of Medicinal Chemistry, 2001 , vol. 44, # 5 p. 664 - 671
  • Route2

    References

    • Zeneca Limited Patent: US6184225 B2, 2001 ;
  • Route3
    • null|null
      106-44-5
    • ~76%
    • In-stock
      4-Methylbenzene-1,3-diol|CS-W005468
      496-73-1

    References

    • Gesson, Jean-Pierre; Jacquesy, Jean-Claude; Jouannetaud, Marie-Paule Journal of the Chemical Society, Chemical Communications, 1980 , # 23 p. 1128 - 1129

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

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   1.40622
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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