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CS-W001157 4
Total: USD 88.00

3-Phenoxymandelic acid

  • CAS No. 66637-86-3

  • Cat. No. CS-0156082
  • Purity≥98%
  • MDL No.MFCD03789126

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

3-Phenoxymandelic acid|CS-0156082

Structure of 66637-86-3

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General Information

  • CAS No. 66637-86-3
  • Cat. No. CS-0156082
  • Purity ≥98%
  • MDL No. MFCD03789126
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂O₄
  • Molecular Weight 244.24
  • Synonym(s) 2-Hydroxy-2-(3-phenoxyphenyl)acetic acid
  • SMILES C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C(=O)O)O

Description

3-Phenoxymandelic acid features a phenoxymethyl side chain attached to a mandelic acid core, combining a labile hydroxyl group with an aromatic ether functionality. This structure enables integration into bioactive scaffolds and facilitates downstream derivatization under mild conditions. The compound exhibits enhanced solubility in organic solvents compared to analogs, supporting its use in synthetic medicinal chemistry workflows.

Application

3-Phenoxymandelic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its phenoxymethyl functionality offers enhanced metabolic stability and modulates lipophilicity, while the carboxylic acid group facilitates straightforward derivatization via esterification, amidation, or coupling reactions. The molecule exhibits good bench stability and is compatible with standard purification techniques, making it a practical choice for iterative synthetic campaigns in API development.

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-P302+P352-P304+P340

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   2.5969
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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