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CS-W001157 4
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Rivaroxaban impurity 47

  • CAS No. 53935-71-0

  • Cat. No. CS-W005652
  • Purity≥98%
  • MDL No.MFCD00098423

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

Rivaroxaban impurity 47|CS-W005652

Structure of 53935-71-0

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General Information

  • CAS No. 53935-71-0
  • Cat. No. CS-W005652
  • Purity ≥98%
  • MDL No. MFCD00098423
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃ClO₂S
  • Molecular Weight 162.59
  • Synonym(s) None
  • SMILES O=C(O)C=1C=CSC1Cl

Description

2-Chlorothiophene-3-carboxylic acid features a chlorinated thiophene core paired with a carboxylic acid functional group, enabling direct incorporation into heterocyclic architectures. This scaffold delivers enhanced electronic properties and improved solubility in polar solvents, supporting efficient derivatization under standard coupling conditions.

Application

2-Chlorothiophene-3-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to functionalized thiophene scaffolds. Its carboxylic acid group facilitates direct amidation, esterification, and coupling reactions, while the ortho-chloro substituent supports palladium-catalyzed cross-coupling transformations. The compound exhibits good bench stability and is amenable to standard purification methods, making it well-suited for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 71, p. 333
  • Route2
    • In-stock
      3-Bromo-2-chlorothiophene|CS-W015667
      40032-73-3
    • null|null
      124-38-9
    • ~%
    • In-stock
      Rivaroxaban impurity 47|CS-W005652
      53935-71-0

    References

    • Archiv der Pharmazie, , vol. 331, # 12 p. 405 - 411

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   2.0997
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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