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CS-W001157 4
Total: USD 88.00

3-Hydroxy-3-phenylpropanoic acid

  • CAS No. 3480-87-3

  • Cat. No. CS-W021936
  • Purity≥97%
  • MDL No.MFCD00137907

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

3-Hydroxy-3-phenylpropanoic acid|CS-W021936

Structure of 3480-87-3

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General Information

  • CAS No. 3480-87-3
  • Cat. No. CS-W021936
  • Purity ≥97%
  • MDL No. MFCD00137907
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight 166.17
  • Synonym(s) Benzenepropanoic acid, beta-hydroxy-
  • SMILES C1=C(C(CC(O)=O)O)C=CC=C1

Description

3-Hydroxy-3-phenylpropanoic acid features a benzylic hydroxyl group flanked by a carboxylic acid, enabling direct functionalization in synthetic routes. This structural motif supports efficient derivatization for pharmaceutical intermediates and bioactive molecule scaffolds under standard conditions.

Application

3-Hydroxy-3-phenylpropanoic acid serves as a versatile building block for synthesizing biologically relevant phenylpropanoid scaffolds and chiral intermediates. Its pendant hydroxyl and carboxylic acid groups enable selective derivatization, including esterification, amidation, and oxidation to ketones, with good bench stability and straightforward purification via recrystallization or chromatography.

Synthesis

  • Route1
    • null|null
      906551-88-0
    • ~99%
    • In-stock
      3-Hydroxy-3-phenylpropanoic acid|CS-W021936
      3480-87-3

    References

    • Saito, Susumu; Kobayashi, Shu Journal of the American Chemical Society, 2006 , vol. 128, # 27 p. 8704 - 8705
  • Route2

    References

    • Reed, Gregg A.; Dimmel, Donald R.; Malcolm, Earl W. Journal of Organic Chemistry, 1993 , vol. 58, # 23 p. 6364 - 6371
  • Route3
    • (R)-3-Hydroxy-3-phenylpropanenitrile|CS-0753755
      73627-97-1
    • ~72%
    • In-stock
      3-Hydroxy-3-phenylpropanoic acid|CS-W021936
      3480-87-3

    References

    • Suto, Yutaka; Kumagai, Naoya; Matsunaga, Shigeki; Kanai, Motomu; Shibasaki, Masakatsu Organic Letters, 2003 , vol. 5, # 17 p. 3147 - 3150

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   1.1947
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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