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CS-W001157 4
Total: USD 88.00

1,3-Dibromo-5-(tert-butyl)benzene

  • CAS No. 129316-09-2

  • Cat. No. CS-0109517
  • Purity≥96%
  • MDL No.MFCD06657956

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

1,3-Dibromo-5-(tert-butyl)benzene|CS-0109517

Structure of 129316-09-2

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General Information

  • CAS No. 129316-09-2
  • Cat. No. CS-0109517
  • Purity ≥96%
  • MDL No. MFCD06657956
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂Br₂
  • Molecular Weight 292.01
  • Synonym(s) 1,3-Dibromo-5-tert-butylbenzene
  • SMILES BrC=1C=C(Br)C=C(C1)C(C)(C)C

Description

1,3-Dibromo-5-(tert-butyl)benzene features a sterically shielded tert-butyl group that enhances stability and solubility in organic media. The para-substituted bromine atoms enable efficient cross-coupling reactions under standard conditions, facilitating the construction of complex aryl architectures with minimal side-product formation.

Application

1,3-Dibromo-5-(tert-butyl)benzene serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted arenes via palladium-catalyzed cross-coupling reactions. The tert-butyl group provides steric protection and enhances solubility, while the ortho-dibrominated framework facilitates sequential functionalization. Its bench-stable nature and compatibility with standard coupling protocols make it ideal for the synthesis of complex aromatic scaffolds and advanced intermediates in medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • Hu, Wen-Jing; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke European Journal of Organic Chemistry, 2012 , # 7 p. 1448 - 1454
  • Route2

    References

    • Physical Chemistry Chemical Physics, , vol. 1, # 8 p. 1699 - 1706

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

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.5091
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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