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CS-W001157 4
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2-Bromo-1-(pyrimidin-2-yl)ethanone hydrobromide

  • CAS No. 1588441-02-4

  • Cat. No. CS-W021586
  • Purity≥95%
  • MDL No.None

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

2-Bromo-1-(pyrimidin-2-yl)ethanone hydrobromide|CS-W021586

Structure of 1588441-02-4

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General Information

  • CAS No. 1588441-02-4
  • Cat. No. CS-W021586
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆Br₂N₂O
  • Molecular Weight 281.94
  • Synonym(s) None
  • SMILES BrCC(C1=NC=CC=N1)=O.[H]Br

Description

2-Bromo-1-(pyrimidin-2-yl)ethanone hydrobromide features a pyrimidine-fused ketone scaffold with a brominated alpha-carbon, enabling direct functionalization in synthetic sequences. This bench-stable electrophile integrates readily into C–C bond-forming reactions, particularly in transition-metal-catalyzed couplings and nucleophilic substitutions. The hydrobromide salt enhances solubility in polar media while maintaining structural integrity under standard handling conditions.

Application

2-Bromo-1-(pyrimidin-2-yl)ethanone hydrobromide serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrimidine-containing scaffolds. Its bromoacetone functionality facilitates nucleophilic substitution and coupling reactions under mild conditions. The compound exhibits good bench stability and compatibility with common protecting groups, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   42.85
  • LogP   1.6321
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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