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(S)-2-(3,4,5-Trimethoxyphenyl)butanoic acid

  • CAS No. 195202-08-5

  • Cat. No. CS-0047665
  • Molecule weight254.28
  • Purity≥97%
  • MDL No.MFCD06245370

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

(S)-2-(3,4,5-Trimethoxyphenyl)butanoic acid|CS-0047665

Structure of 195202-08-5

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General Information

  • CAS No. 195202-08-5
  • Cat. No. CS-0047665
  • Purity ≥97%
  • MDL No. MFCD06245370
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₅
  • Molecular Weight 254.28
  • Synonym(s) (S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID
  • SMILES O=C(O)[C@@H](CC)C1=CC(OC)=C(OC)C(OC)=C1

Description

This chiral butanoic acid features a 3,4,5-trimethoxyphenyl group that enhances solubility and modulates electronic properties. The (S)-configuration ensures stereochemical precision for use in asymmetric synthesis, drug discovery, and peptide conjugation workflows requiring enantiopure building blocks.

Application

(S)-2-(3,4,5-Trimethoxyphenyl)butanoic acid serves as a valuable chiral building block in medicinal chemistry, enabling the synthesis of bioactive molecules through established coupling and functional group interconversion strategies. Its robust bench stability, orthogonal reactivity profile, and compatibility with standard peptide and heterocyclic synthesis protocols make it well-suited for iterative compound library development and API precursor construction.

Synthesis

  • Route1

    References

    • ARIAD PHARMACEUTICALS, INCORPORATED; LI, Feng; WANG, Yihan Patent: WO2012/103279 A2, 2012 ; Location in patent: Page/Page column 11-12 ;
  • Route2
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      1392284-67-1
    • ~%
    • In-stock
      (S)-2-(3,4,5-Trimethoxyphenyl)butanoic acid|CS-0047665
      195202-08-5

    References

    • WO2012/103279 A2, ; Page/Page column 15 ;
  • Route3

    References

    • WO2012/103279 A2, ;

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   2.2906
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   6

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