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CS-W001157 4
Total: USD 88.00

1-(2-Hydroxy-5-isopropylphenyl)ethan-1-one

  • CAS No. 1634-36-2

  • Cat. No. CS-0171937
  • Purity≥98%
  • MDL No.None

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

1-(2-Hydroxy-5-isopropylphenyl)ethan-1-one|CS-0171937

Structure of 1634-36-2

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General Information

  • CAS No. 1634-36-2
  • Cat. No. CS-0171937
  • Purity ≥98%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) 2'-Hydroxy-5'-isopropylacetophenone
  • SMILES CC(C)C1=CC(=C(C=C1)O)C(=O)C

Description

This ketone features a hydroxy-substituted isopropylphenyl moiety paired with an acetyl group, enabling direct integration into synthetic pathways requiring phenolic functionality and steric bulk. The ortho-hydroxyl facilitates chelation or metal coordination, while the isopropyl group enhances lipophilicity and resistance to oxidation under standard conditions.

Application

1-(2-Hydroxy-5-isopropylphenyl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted phenolic ketones. Its structure combines a phenolic hydroxyl group with an ortho-ketone functionality and a sterically accessible isopropyl substituent, facilitating downstream transformations such as electrophilic substitution, oxidation, or coupling reactions. The compound exhibits good bench stability and is readily purified by recrystallization or chromatography, making it well-suited for use in multi-step syntheses of bioactive scaffolds.

Synthesis

  • Route1
    • null|null
      2664-32-6
    • ~%
    • In-stock
      1-(2-Hydroxy-5-isopropylphenyl)ethan-1-one|CS-0171937
      1634-36-2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 13, # 15 p. 2561 - 2563
  • Route2
    • 2-(Diethoxymethyl)-1,1-diethoxy-3-methylbutane|CS-0662267
      30989-71-0
    • null|null
      63446-76-4
    • ~22%
    • In-stock
      1-(2-Hydroxy-5-isopropylphenyl)ethan-1-one|CS-0171937
      1634-36-2

    References

    • Mamat, Constantin; Buettner, Stefan; Trabhardt, Tiana; Fischer, Christine; Langer, Peter Journal of Organic Chemistry, 2007 , vol. 72, # 16 p. 6273 - 6275
  • Route3
    • In-stock
      N,N-Dimethylacetamide|CS-W023195
      127-19-5
    • null|null
      58456-88-5
    • ~%
    • In-stock
      1-(2-Hydroxy-5-isopropylphenyl)ethan-1-one|CS-0171937
      1634-36-2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 13, # 22 p. 4071 - 4075

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7182
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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