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CS-W001157 4
Total: USD 88.00

4-Isopropylbenzene-1,3-diol

  • CAS No. 23504-03-2

  • Cat. No. CS-0154304
  • Purity≥97%
  • MDL No.MFCD05663778

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

4-Isopropylbenzene-1,3-diol|CS-0154304

Structure of 23504-03-2

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General Information

  • CAS No. 23504-03-2
  • Cat. No. CS-0154304
  • Purity ≥97%
  • MDL No. MFCD05663778
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O₂
  • Molecular Weight 152.19
  • Synonym(s) 4-Isopropylresorcinol
  • SMILES CC(C)C1=C(C=C(C=C1)O)O

Description

4-Isopropylbenzene-1,3-diol features two hydroxyl groups positioned ortho to a para-isopropyl substituent on a benzene ring, delivering enhanced solubility and stability. This structural motif enables effective integration into antioxidant systems and bioactive scaffolds, particularly in medicinal chemistry applications requiring phenolic functionality with steric protection.

Application

4-Isopropylbenzene-1,3-diol serves as a versatile building block for the synthesis of functionalized aromatic scaffolds, particularly in medicinal chemistry and agrochemical research. Its ortho-dihydroxy arrangement enables efficient metal-catalyzed coupling reactions and oxidation-sensitive transformations, while the isopropyl group provides steric and electronic modulation. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows.

Synthesis

  • Route1
    • (4-(Prop-1-en-2-yl)-1,3-phenylene)bis(oxy)bis(methylene)dibenzene|CS-M1285
      747414-16-0
    • ~88%
    • In-stock
      4-Isopropylbenzene-1,3-diol|CS-0154304
      23504-03-2

    References

    • Qian, Changgeng; Cai, Xiong; Zhai, Haixiao Patent: US2009/76006 A1, 2009 ; Location in patent: Page/Page column 32; 41 ; US 20090076006 A1
  • Route2
    • null|null
      1360813-23-5
    • ~%
    • In-stock
      4-Isopropylbenzene-1,3-diol|CS-0154304
      23504-03-2

    References

    • WO2012/26931 A1, ; Page/Page column 25 ;
  • Route3
    • null|null
      24416-78-2
    • ~%
    • In-stock
      4-Isopropylbenzene-1,3-diol|CS-0154304
      23504-03-2

    References

    • WO2012/26931 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 : 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

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   2.2212
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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