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CS-W001157 4
Total: USD 88.00

1-Benzothiophene-5-carboxylic acid

  • CAS No. 2060-64-2

  • Cat. No. CS-B1177
  • Purity≥95%
  • MDL No.MFCD04974042

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

1-Benzothiophene-5-carboxylic acid|CS-B1177

Structure of 2060-64-2

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General Information

  • CAS No. 2060-64-2
  • Cat. No. CS-B1177
  • Purity ≥95%
  • MDL No. MFCD04974042
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₂S
  • Molecular Weight 178.21
  • Synonym(s) BUTTPARK 98\04-76
  • SMILES OC(C1=CC=C2C(C=CS2)=C1)=O

Description

1-Benzothiophene-5-carboxylic acid features a fused heteroaromatic core with a carboxylic acid group at the 5-position, offering enhanced stability and solubility in polar solvents. This scaffold integrates readily into bioactive molecule design, enabling efficient coupling reactions for pharmaceutical and materials applications.

Application

1-Benzothiophene-5-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to biologically relevant scaffolds. Its carboxylic acid functionality facilitates direct derivatization via esterification, amide coupling, or decarboxylative transformations. The benzothiophene core exhibits good bench stability and functional group tolerance, making it suitable for iterative synthetic sequences in medicinal chemistry and process development.

Synthesis

  • Route1
    • In-stock
      5-Bromobenzothiophene|CS-W007558
      4923-87-9
    • null|null
      590-29-4
    • ~82%
    • In-stock
      1-Benzothiophene-5-carboxylic acid|CS-B1177
      2060-64-2

    References

    • Korsager, Signe; Taaning, Rolf H.; Skrydstrup, Troels Journal of the American Chemical Society, 2013 , vol. 135, # 8 p. 2891 - 2894
  • Route2

    References

    • Datta, Sumana; De, Asish Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989 , p. 603 - 607
  • Route3
    • null|null
      122081-59-8
    • ~%
    • In-stock
      1-Benzothiophene-5-carboxylic acid|CS-B1177
      2060-64-2

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 603 - 607

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-H319
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   37.3
  • LogP   2.5995
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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