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6-(Bromomethyl)benzo[d]oxazole

  • CAS No. 181040-42-6

  • Cat. No. CS-0006419
  • Purity≥95%
  • MDL No.MFCD16036445

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

6-(Bromomethyl)benzo[d]oxazole|CS-0006419

Structure of 181040-42-6

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General Information

  • CAS No. 181040-42-6
  • Cat. No. CS-0006419
  • Purity ≥95%
  • MDL No. MFCD16036445
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrNO
  • Molecular Weight 212.05
  • Synonym(s) 6-Bromomethylbenzoxazole
  • SMILES BrCC1=CC=C2N=COC2=C1

Description

6-(Bromomethyl)benzo[d]oxazole features a reactive bromomethyl group positioned ortho to the heterocyclic core, enabling efficient coupling reactions. This bench-stable derivative serves as a versatile synthon in medicinal chemistry and materials science, facilitating the installation of functionalized side chains via nucleophilic substitution.

Application

6-(Bromomethyl)benzo[d]oxazole serves as a versatile synthetic intermediate for constructing bioactive heterocyclic architectures. The bromomethyl group enables efficient nucleophilic substitution, Suzuki-Miyaura coupling, and metal-catalyzed functionalization under standard conditions. Its bench-stable nature and compatibility with diverse reaction partners facilitate streamlined access to substituted benzoxazole scaffolds relevant in medicinal chemistry and materials science.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.7227
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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