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CS-W001157 4
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1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one

  • CAS No. 54549-72-3

  • Cat. No. CS-0503789
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD18971205

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

1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one|CS-0503789

Structure of 54549-72-3

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General Information

  • CAS No. 54549-72-3
  • Cat. No. CS-0503789
  • Purity ≥97%
  • MDL No. MFCD18971205
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight None
  • Synonym(s) Ethanone, 1-[4-(1-hydroxy-1-methylethyl)phenyl]-
  • SMILES CC(C1=CC=C(C(C)(O)C)C=C1)=O

Description

This acetophenone derivative features a tert-butyl-substituted phenyl ring paired with a benzoyl group, delivering enhanced steric bulk and thermal stability. The hydroxylated isopropyl side chain imparts solubility in polar solvents and facilitates downstream functionalization. Ideal for synthetic intermediates requiring robustness under standard reaction conditions.

Application

1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one serves as a stable, bench-ready aryl ketone building block for medicinal chemistry and materials synthesis. Its tertiary alcohol functionality enhances solubility and metabolic stability, while the para-substituted phenyl ring enables straightforward functionalization via standard coupling reactions. The ketone group facilitates nucleophilic additions and acts as a key handle in heterocycle construction.

Synthesis

  • Route1
    • In-stock
      Methyl 4-acetylbenzoate|CS-M0170
      3609-53-8
    • null|null
      75-16-1
    • ~84%
    • In-stock
      1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one|CS-0503789
      54549-72-3

    References

    • Yahata, Kenzo; Minami, Masaki; Yoshikawa, Yuki; Watanabe, Kei; Fujioka, Hiromichi Chemical and Pharmaceutical Bulletin, 2013 , vol. 61, # 12 p. 1298 - 1307
  • Route2
    • In-stock
      Methyl 4-acetylbenzoate|CS-M0170
      3609-53-8
    • null|null
      917-54-4
    • ~85%
    • In-stock
      1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one|CS-0503789
      54549-72-3

    References

    • Barrios, Francis J.; Zhang, Xuechao; Colby, David A. Organic Letters, 2010 , vol. 12, # 23 p. 5588 - 5591
  • Route3

    References

    • Bradley; Williams; Blann, Kevin; Holzapfel, Cedric W. Journal of Organic Chemistry, 2000 , vol. 65, # 9 p. 2834 - 2836

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.1166
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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