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CS-W001157 4
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1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone

  • CAS No. 39235-58-0

  • Cat. No. CS-0155121
  • Purity≥95%
  • MDL No.MFCD00819312

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

1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone|CS-0155121

Structure of 39235-58-0

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General Information

  • CAS No. 39235-58-0
  • Cat. No. CS-0155121
  • Purity ≥95%
  • MDL No. MFCD00819312
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight 166.17
  • Synonym(s) Salbutamol Impurity 50
  • SMILES CC(=O)C1=CC(=C(C=C1)O)CO

Description

This phenolic ketone features a hydroxymethyl group adjacent to a hydroxyl-bearing aromatic ring, enhancing solubility and reactivity. The carbonyl functionality enables direct coupling in synthesis, while the ortho-hydroxy and hydroxymethyl moieties support chelation and derivatization. Bench-stable under standard conditions, it serves as a key intermediate in bioactive molecule construction.

Application

1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone serves as a versatile phenolic building block for the synthesis of bioactive heterocycles and natural product analogs. Its ortho-hydroxyketone motif enables facile cyclization, while the hydroxymethyl group offers direct handle for derivatization. Bench-stable and compatible with standard protection/deprotection protocols, it facilitates efficient access to complex scaffolds in medicinal chemistry workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   1.0871
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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