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5-Methoxy-1-benzothiophene-2-carboxylic acid

  • CAS No. 23046-02-8

  • Cat. No. CS-0076927
  • Purity≥96%
  • MDL No.None

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

5-Methoxy-1-benzothiophene-2-carboxylic acid|CS-0076927

Structure of 23046-02-8

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General Information

  • CAS No. 23046-02-8
  • Cat. No. CS-0076927
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₃S
  • Molecular Weight 208.23
  • Synonym(s) 5-Methoxybenzo[b]thiophene-2-carboxylic acid
  • SMILES O=C(O)C1=CC2=CC(OC)=CC=C2S1

Description

5-Methoxy-1-benzothiophene-2-carboxylic acid features a fused benzothiophene core with a methoxy group at the 5-position and a carboxylic acid at the 2-position, delivering enhanced solubility and stability for use in medicinal chemistry. This structure supports efficient derivatization in drug discovery workflows.

Application

5-Methoxy-1-benzothiophene-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of biologically active heterocycles. Its structure combines a benzothiophene core with a carboxylic acid for derivatization and a methoxy group offering favorable solubility and metabolic stability. The compound exhibits bench-stable handling and tolerates common functional groups, facilitating coupling reactions and downstream modifications in API development workflows.

Synthesis

  • Route1

    References

    • MethylGene Inc. Patent: US2010/279983 A1, 2010 ; Location in patent: Page/Page column 23 ; US 20100279983 A1
  • Route2
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      91715-52-5
    • ~%
    • In-stock
      5-Methoxy-1-benzothiophene-2-carboxylic acid|CS-0076927
      23046-02-8

    References

    • LIFE TECHNOLOGIES CORPORATION; JUO, Rouh-Rong; BROOKS, Edward; GEE, Melissa; WANG, Zhixian H; SKAARE, Kathleen Patent: WO2010/101839 A2, 2010 ; Location in patent: Page/Page column 21-22 ;
  • Route3
    • null|null
      1010456-51-5
    • ~%
    • In-stock
      5-Methoxy-1-benzothiophene-2-carboxylic acid|CS-0076927
      23046-02-8

    References

    • Faucher, Nicolas; Martres, Paul; Laroze, Alain; Pineau, Olivier; Potvain, Florent; Grillot, Didier Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 2 p. 710 - 715

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   46.53
  • LogP   2.6081
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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