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CS-W001157 4
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1-(5-Bromopyrimidin-2-yl)ethanone

  • CAS No. 1189169-37-6

  • Cat. No. CS-0042572
  • Purity≥97%
  • MDL No.MFCD18909512

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

1-(5-Bromopyrimidin-2-yl)ethanone|CS-0042572

Structure of 1189169-37-6

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General Information

  • CAS No. 1189169-37-6
  • Cat. No. CS-0042572
  • Purity ≥97%
  • MDL No. MFCD18909512
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BrN₂O
  • Molecular Weight 201.02
  • Synonym(s) 1-(5-bromopyrimidin-2-yl)ethan-1-one
  • SMILES CC(C1=NC=C(Br)C=N1)=O

Description

1-(5-Bromopyrimidin-2-yl)ethanone features a brominated pyrimidine core paired with an acetyl group, enabling direct integration into heterocyclic scaffolds. This electron-deficient building block facilitates cross-coupling reactions and serves as a key intermediate in medicinal chemistry for targeted functionalization.

Application

1-(5-Bromopyrimidin-2-yl)ethanone serves as a versatile building block in synthetic medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. The bromine atom at the 5-position facilitates palladium-catalyzed cross-coupling reactions, while the acetyl group provides a handle for further functionalization via enolization or nucleophilic substitution. Its bench stability and compatibility with standard reaction conditions make it a practical choice for modular synthesis of bioactive heterocycles.

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   42.85
  • LogP   1.4417
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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