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CS-W001157 4
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1-Bromo-2-(tert-butoxy)benzene

  • CAS No. 344296-29-3

  • Cat. No. CS-0161772
  • Purity≥98%
  • MDL No.MFCD18917786

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

1-Bromo-2-(tert-butoxy)benzene|CS-0161772

Structure of 344296-29-3

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General Information

  • CAS No. 344296-29-3
  • Cat. No. CS-0161772
  • Purity ≥98%
  • MDL No. MFCD18917786
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃BrO
  • Molecular Weight 229.11
  • Synonym(s) 2-tert-butoxybromobenzene
  • SMILES CC(OC1=CC=CC=C1Br)(C)C

Description

1-Bromo-2-(tert-butoxy)benzene features a strategically positioned tert-butoxy group that enhances solubility and stability while maintaining reactivity in palladium-catalyzed cross-coupling reactions. This ortho-substituted aryl bromide delivers reliable coupling efficiency under standard conditions, enabling streamlined synthesis of complex biaryls and functionalized arenes in medicinal chemistry and materials science applications.

Application

1-Bromo-2-(tert-butoxy)benzene serves as a versatile aryl halide building block in palladium-catalyzed cross-coupling reactions, enabling efficient C–C bond formation under standard conditions. The tert-butoxy group provides steric and electronic modulation while maintaining stability during reaction setup. Its bench-stable nature and compatibility with common coupling partners facilitate reliable synthesis of substituted biaryl scaffolds and functionalized aromatic systems in medicinal chemistry and materials science applications.

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   9.23
  • LogP   3.6264
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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