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CS-W001157 4
Total: USD 88.00

1,3-Benzothiazole-7-carboxylic acid

  • CAS No. 677304-83-5

  • Cat. No. CS-0005609
  • Purity≥97%
  • MDL No.MFCD13195419

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

1,3-Benzothiazole-7-carboxylic acid|CS-0005609

Structure of 677304-83-5

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General Information

  • CAS No. 677304-83-5
  • Cat. No. CS-0005609
  • Purity ≥97%
  • MDL No. MFCD13195419
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₂S
  • Molecular Weight 179.20
  • Synonym(s) Benzo[d]thiazole-7-carboxylic acid
  • SMILES O=C(C1=C(SC=N2)C2=CC=C1)O

Description

1,3-Benzothiazole-7-carboxylic acid delivers a rigid, electron-deficient heteroaromatic scaffold ideal for bioactive molecule synthesis. The carboxylic acid group enables direct coupling reactions and facilitates derivatization under standard conditions. This compound features high thermal stability and enhanced solubility in polar solvents, simplifying purification and integration into pharmaceutical intermediates.

Application

1,3-Benzothiazole-7-carboxylic acid serves as a versatile building block for heterocyclic scaffolds in medicinal chemistry and materials science. Its carboxylic acid functionality enables direct amidation, esterification, and coupling reactions under standard conditions. The benzothiazole core exhibits excellent bench stability and functional group tolerance, facilitating downstream transformations. This compound functions as a key intermediate in the synthesis of bioactive molecules and advanced organic materials.

Synthesis

  • Route1
    • Ethyl benzo[d]thiazole-7-carboxylate|CS-0669882
      677304-90-4
    • ~90%
    • In-stock
      1,3-Benzothiazole-7-carboxylic acid|CS-0005609
      677304-83-5

    References

    • MEMORY PHARMACEUTICALS CORPORATION Patent: WO2005/92890 A2, 2005 ; Location in patent: Page/Page column 71 ; WO 2005/092890 A2
  • Route2

    References

    • WO2008/81399 A2, ; Page/Page column 79 ; WO 2008/081399 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   50.19
  • LogP   1.9945
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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