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CS-W001157 4
Total: USD 88.00

2-Bromothiazole-5-carboxylic acid

  • CAS No. 54045-76-0

  • Cat. No. CS-D0331
  • Molecule weight208.04
  • Purity≥95%
  • MDL No.MFCD04115730

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

2-Bromothiazole-5-carboxylic acid|CS-D0331

Structure of 54045-76-0

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General Information

  • CAS No. 54045-76-0
  • Cat. No. CS-D0331
  • Purity ≥95%
  • MDL No. MFCD04115730
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂BrNO₂S
  • Molecular Weight 208.04
  • Synonym(s) None
  • SMILES O=C(C1=CN=C(Br)S1)O

Description

2-Bromothiazole-5-carboxylic acid features a brominated thiazole ring fused to a carboxylic acid group, enabling direct incorporation into heterocyclic scaffolds. The electron-deficient aromatic core facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions. This bench-stable reagent delivers high functional group tolerance and serves as a key building block in medicinal chemistry and agrochemical synthesis.

Application

2-Bromothiazole-5-carboxylic acid serves as a versatile building block for constructing thiazole-based heterocycles in medicinal chemistry and agrochemical research. Its bromine and carboxylic acid functionalities enable direct coupling reactions, including Pd-catalyzed cross-couplings and amide formation, with high functional group tolerance. The compound exhibits bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis workflows.

Synthesis

  • Route1

    References

    • US2011/92475 A1, ; Page/Page column 14 ;

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   1.6038
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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