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CS-W001157 4
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2-Bromopyrimidine-5-carboxylic acid

  • CAS No. 1224885-47-5

  • Cat. No. CS-0101938
  • Purity≥98%
  • MDL No.None

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

2-Bromopyrimidine-5-carboxylic acid|CS-0101938

Structure of 1224885-47-5

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General Information

  • CAS No. 1224885-47-5
  • Cat. No. CS-0101938
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃BrN₂O₂
  • Molecular Weight 202.99
  • Synonym(s) 2-Bromo-5-pyrimidinecarboxylic acid
  • SMILES O=C(C1=CN=C(Br)N=C1)O

Description

2-Bromopyrimidine-5-carboxylic acid features a bromine atom at the 2-position and a carboxylic acid group at the 5-position on a pyrimidine scaffold. This combination enables direct functionalization in cross-coupling reactions and facilitates conjugation to biomolecules via amide bond formation. The electron-deficient pyrimidine ring enhances reactivity in nucleophilic substitution processes.

Application

2-Bromopyrimidine-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C2 position via palladium-catalyzed cross-coupling reactions. Its carboxylic acid group facilitates derivatization through amide formation or esterification, while the pyrimidine core provides a stable scaffold for further structural elaboration. The molecule exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in API development.

Safety Information

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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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   0.9373
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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