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CS-W001157 4
Total: USD 88.00

3-(4-Bromophenyl)oxetan-3-ol

  • CAS No. 1093878-32-0

  • Cat. No. CS-0051748
  • Purity≥98%
  • MDL No.None

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

3-(4-Bromophenyl)oxetan-3-ol|CS-0051748

Structure of 1093878-32-0

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General Information

  • CAS No. 1093878-32-0
  • Cat. No. CS-0051748
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₂
  • Molecular Weight 229.07
  • Synonym(s) 3(4-bromophenyl)oxetan-3-ol
  • SMILES OC1(COC1)C1=CC=C(Br)C=C1

Description

This oxetane derivative features a 4-bromophenyl substituent that imparts enhanced metabolic stability and lipophilicity, making it a valuable scaffold in medicinal chemistry. The hydroxyl group enables facile derivatization and conjugation, while the oxetane ring provides favorable physicochemical properties including high polarity and reduced tendency for metabolic oxidation. This combination supports efficient incorporation into drug candidates requiring balanced solubility and membrane permeability.

Application

3-(4-Bromophenyl)oxetan-3-ol serves as a versatile building block in medicinal chemistry, enabling direct incorporation of both brominated aromatic and oxetane functionalities. The oxetane ring imparts enhanced metabolic stability and favorable physicochemical properties, while the pendant bromide facilitates downstream cross-coupling reactions. Its bench-stable solid form and compatibility with palladium-catalyzed transformations make it ideal for constructing complex heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1

    References

    • WO2013/134562 A1, ; Paragraph 00333; 00379 ;
  • Route2

    References

    • WO2011/159760 A1, ; Page/Page column 61 ; WO 2011/159760 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-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   29.46
  • LogP   1.6669
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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