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CS-W001157 4
Total: USD 88.00

4,5-Dichlorothiophene-2-carboxylic acid

  • CAS No. 31166-29-7

  • Cat. No. CS-W005123
  • Purity≥97%
  • MDL No.MFCD07366674

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

4,5-Dichlorothiophene-2-carboxylic acid|CS-W005123

Structure of 31166-29-7

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General Information

  • CAS No. 31166-29-7
  • Cat. No. CS-W005123
  • Purity ≥97%
  • MDL No. MFCD07366674
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂Cl₂O₂S
  • Molecular Weight 197.04
  • Synonym(s) None
  • SMILES O=C(C1=CC(Cl)=C(Cl)S1)O

Application

4,5-Dichlorothiophene-2-carboxylic acid serves as a versatile building block in heterocyclic synthesis, enabling direct incorporation into biologically relevant scaffolds. Its dual chloro substituents enhance electrophilic reactivity for palladium-catalyzed cross-coupling, while the carboxylic acid functionality facilitates derivatization via amide formation or esterification. The compound exhibits excellent bench stability and is compatible with standard purification protocols, making it well-suited for medicinal chemistry campaigns and process development.

Synthesis

  • Route1
    • 2,3-Dichlorothiophene|CS-W016287
      17249-79-5
    • null|null
      124-38-9
    • ~76%
    • In-stock
      4,5-Dichlorothiophene-2-carboxylic acid|CS-W005123
      31166-29-7

    References

    • ELI LILLY AND COMPANY Patent: EP1856090 B1, 2009 ; Location in patent: Page/Page column 55 ;
  • Route2
    • Ethyl 4,5-dichlorothiophene-2-carboxylate|CS-0337963
      130562-97-9
    • ~%
    • In-stock
      4,5-Dichlorothiophene-2-carboxylic acid|CS-W005123
      31166-29-7

    References

    • US5840917 A1, ;
  • Route3

    References

    • Monatshefte fuer Chemie, , vol. 120, p. 53 - 63

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7531
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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