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CS-W001157 4
Total: USD 88.00

3,4,5-Trimethoxyphenylacetic acid

  • CAS No. 951-82-6

  • Cat. No. CS-W010429
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD00004336

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

3,4,5-Trimethoxyphenylacetic acid|CS-W010429

Structure of 951-82-6

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General Information

  • CAS No. 951-82-6
  • Cat. No. CS-W010429
  • Purity ≥95%
  • MDL No. MFCD00004336
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₅
  • Molecular Weight None
  • Synonym(s) None
  • SMILES C1=C(CC(O)=O)C=C(C(=C1OC)OC)OC

Description

This trimethoxyphenylacetic acid features three methoxy groups positioned at the 3,4,5-locations of the aromatic ring, enhancing electron density and solubility in organic solvents. The carboxylic acid functionality enables direct coupling reactions in peptide synthesis and medicinal chemistry applications. Its bench-stable, moisture-tolerant nature simplifies handling under standard conditions.

Application

3,4,5-Trimethoxyphenylacetic acid serves as a versatile building block in medicinal chemistry and natural product synthesis, offering enhanced solubility and metabolic stability through its ortho-trimethoxyaryl motif. The carboxylic acid functionality enables straightforward derivatization via esterification, amide coupling, or amidation, while the aromatic ring supports electrophilic substitution and Suzuki-Miyaura cross-coupling reactions. Its bench-stable, crystalline nature facilitates handling and purification, making it a reliable scaffold for constructing bioactive molecules and pharmaceutical intermediates.

Synthesis

  • Route1

    References

    • Patra, Amarendra; Mukhopadhyay, Prabir K.; Ghosh, Gargi Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 173 - 175
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      3,4,5-Trimethoxyphenylacetic acid|CS-W010429
      951-82-6

    References

    • Journal of the American Chemical Society, , vol. 73, p. 1414,1419 Journal of the American Chemical Society, , vol. 77, p. 670,674
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    • In-stock
      3,4,5-Trimethoxyphenylacetic acid|CS-W010429
      951-82-6

    References

    • Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 21, # 3 p. 173 - 175

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   64.99
  • LogP   1.3395
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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