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CS-W001157 4
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2-((5-Bromopyrimidin-2-yl)thio)acetic acid

  • CAS No. 52767-92-7

  • Cat. No. CS-0060280
  • Molecule weight249.09
  • Purity≥97%
  • MDL No.MFCD09754081

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

2-((5-Bromopyrimidin-2-yl)thio)acetic acid|CS-0060280

Structure of 52767-92-7

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General Information

  • CAS No. 52767-92-7
  • Cat. No. CS-0060280
  • Purity ≥97%
  • MDL No. MFCD09754081
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BrN₂O₂S
  • Molecular Weight 249.09
  • Synonym(s) OTAVA-BB 1056252
  • SMILES C1=C(C=NC(=N1)SCC(=O)O)Br

Description

This bromopyrimidinethioacetic acid features a pyrimidine core functionalized with a bromine atom and a thioacetic side chain, enabling direct conjugation in cross-coupling reactions. The electron-deficient pyrimidine ring enhances reactivity in nucleophilic substitution processes, while the thioether linkage offers stability under standard conditions. Ideal for constructing bioactive heterocycles and pharmaceutical intermediates.

Application

2-((5-Bromopyrimidin-2-yl)thio)acetic acid serves as a versatile building block for the synthesis of pyrimidine-based heterocycles and bioactive molecules. Its bromine substituent enables facile palladium-catalyzed cross-coupling reactions, while the thioacetic acid moiety offers a handle for further functionalization. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for medicinal chemistry and process development workflows.

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   63.08
  • LogP   1.4158
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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