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2-Bromooxazole-4-carbonitrile

  • CAS No. 1240608-82-5

  • Cat. No. CS-0094518
  • Purity≥97%
  • MDL No.None

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

2-Bromooxazole-4-carbonitrile|CS-0094518

Structure of 1240608-82-5

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General Information

  • CAS No. 1240608-82-5
  • Cat. No. CS-0094518
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄HBrN₂O
  • Molecular Weight 172.97
  • Synonym(s) 2-BroMo-oxazole-4-carbonitrile
  • SMILES N#CC1=COC(Br)=N1

Description

2-Bromooxazole-4-carbonitrile features a bromine substituent at the 2-position and a nitrile group at the 4-position of the oxazole ring. This electron-deficient heterocycle serves as a key building block in synthetic routes to functionalized oxazoles, enabling efficient coupling reactions under standard conditions. The molecule exhibits good bench stability and compatibility with transition metal-catalyzed transformations.

Application

2-Bromooxazole-4-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive bromine and electron-deficient oxazole framework. The nitrile group provides additional functionality for derivatization, while the molecule exhibits good bench stability and compatibility with standard purification methods. Its defined reactivity profile facilitates efficient construction of complex oxazole-based scaffolds relevant to medicinal chemistry and agrochemical research.

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   49.82
  • LogP   1.30878
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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