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CS-W001157 4
Total: USD 88.00

4-(3-Hydroxyoxetan-3-yl)benzoic acid

  • CAS No. 1346608-76-1

  • Cat. No. CS-0157567
  • Purity≥98%
  • MDL No.MFCD22370094

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

4-(3-Hydroxyoxetan-3-yl)benzoic acid|CS-0157567

Structure of 1346608-76-1

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General Information

  • CAS No. 1346608-76-1
  • Cat. No. CS-0157567
  • Purity ≥98%
  • MDL No. MFCD22370094
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) 4-(3-Hydroxy-3-oxetanyl)benzoic acid
  • SMILES C1=C(C=CC(=C1)C2(COC2)O)C(=O)O

Description

4-(3-Hydroxyoxetan-3-yl)benzoic acid features a hydroxylated oxetane ring tethered to a para-substituted benzoic acid scaffold, combining strain-driven reactivity with enhanced solubility. This motif enables efficient conjugation in bioconjugation workflows and offers favorable metabolic stability for drug discovery applications.

Application

4-(3-Hydroxyoxetan-3-yl)benzoic acid serves as a versatile building block for constructing bioactive heterocyclic scaffolds, leveraging the oxetane ring’s strain-driven reactivity and hydroxyl group’s synthetic handle. The carboxylic acid functionality enables direct coupling or derivatization in peptide and macrocycle synthesis. Bench-stable and compatible with standard purification methods, it facilitates efficient access to diverse compound libraries 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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   0.6026
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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