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

  • CAS No. 18979-60-7

  • Cat. No. CS-0152424
  • Purity≥97%
  • MDL No.MFCD00020120

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

4-Propylbenzene-1,3-diol|CS-0152424

Structure of 18979-60-7

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General Information

  • CAS No. 18979-60-7
  • Cat. No. CS-0152424
  • Purity ≥97%
  • MDL No. MFCD00020120
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O₂
  • Molecular Weight 152.19
  • Synonym(s) ethyl [(2-benzoyl-4-chlorophenyl)amino](oxo)acetate
  • SMILES CCCC1=C(C=C(C=C1)O)O

Description

4-Propylbenzene-1,3-diol features a propyl-substituted benzene ring with two hydroxyl groups in the meta positions, delivering enhanced solubility and stability compared to unsubstituted analogs. This scaffold serves as a key building block for bioactive molecule synthesis, particularly in medicinal chemistry applications requiring electron-rich aromatic cores.

Application

4-Propylbenzene-1,3-diol serves as a versatile phenolic building block for the synthesis of functionalized aromatic scaffolds. Its ortho-dihydroxy arrangement enables robust metal coordination and oxidation to quinones, while the propyl substituent provides tunable hydrophobicity. The compound exhibits excellent bench stability and facilitates efficient derivatization via coupling reactions, making it well-suited for medicinal chemistry and materials applications requiring controlled polarity and structural rigidity.

Synthesis

  • Route1

    References

    • Liu, Peng; Xu, Xing; Chen, Lili; Ma, Lei; Shen, Xu; Hu, Lihong Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 5 p. 1596 - 1607
  • Route2
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      108-46-3
    • ~%
    • In-stock
      4-Propylbenzene-1,3-diol|CS-0152424
      18979-60-7

    References

    • DE489117 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 2867
  • Route3
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      2999-19-1
    • ~%
    • In-stock
      4-Propylbenzene-1,3-diol|CS-0152424
      18979-60-7

    References

    • Bulet. Soc. Sti. farm. Romania, , vol. 6, p. 3,17 Archiv der Pharmazie (Weinheim, Germany), , vol. 271, p. 342,348

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   2.0503
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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