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CS-W001157 4
Total: USD 88.00

Methyl thiophene-3-carboxylate

  • CAS No. 22913-26-4

  • Cat. No. CS-W007570
  • Purity≥98%
  • MDL No.MFCD06203810

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

Methyl thiophene-3-carboxylate|CS-W007570

Structure of 22913-26-4

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General Information

  • CAS No. 22913-26-4
  • Cat. No. CS-W007570
  • Purity ≥98%
  • MDL No. MFCD06203810
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆O₂S
  • Molecular Weight 142.18
  • Synonym(s) Thiophene-3-carboxylic Acid Methyl Ester
  • SMILES COC(=O)C1=CSC=C1

Description

Methyl thiophene-3-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a thiophene ring fused to a carboxylate moiety. This scaffold integrates readily into synthetic routes for bioactive molecules and functional materials, offering enhanced electron density at the 3-position.

Application

Methyl thiophene-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted thiophenes via cross-coupling and functional group transformation. Its bench-stable nature and compatibility with palladium-catalyzed reactions facilitate reliable incorporation into pharmaceutical and agrochemical scaffolds. The ester functionality supports selective reduction or hydrolysis, offering flexible downstream derivatization for medicinal chemistry applications.

Synthesis

  • Route1

    References

    • Journal of Organic Chemistry, , vol. 60, # 26 p. 8336 - 8340
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 60, # 26 p. 8336 - 8340
  • Route3
    • null|null
      67-56-1
    • In-stock
      Thiophene-3-carboxylic acid|CS-W004615
      88-13-1
    • ~83%
    • In-stock
      Methyl thiophene-3-carboxylate|CS-W007570
      22913-26-4

    References

    • F2G LTD Patent: WO2006/123145 A1, 2006 ; Location in patent: Page/Page column 44 ;

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   26.3
  • LogP   1.5347
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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