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CS-W001157 4
Total: USD 88.00

1-Bromo-2,4,5-trimethylbenzene

  • CAS No. 5469-19-2

  • Cat. No. CS-W010515
  • Purity≥98%
  • MDL No.MFCD00000072

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

1-Bromo-2,4,5-trimethylbenzene|CS-W010515

Structure of 5469-19-2

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General Information

  • CAS No. 5469-19-2
  • Cat. No. CS-W010515
  • Purity ≥98%
  • MDL No. MFCD00000072
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁Br
  • Molecular Weight 199.09
  • Synonym(s) 5-Bromo-1,2,4-trimethylbenzene
  • SMILES CC1=C(C)C=C(C)C(Br)=C1

Description

5-Bromo-1,2,4-trimethylbenzene was used in the preparation of: 1,2-dideoxy-1-(1,2,4-trimethylphenyl)-3,5-di-O-toluoyl--D-ribofuranoseubiquinones, also referred as Coenzyme Qn2, 4, 5-trimethylbenzoic acid

Application

1-Bromo-2,4,5-trimethylbenzene serves as a versatile aryl halide building block in cross-coupling reactions, enabling efficient construction of substituted biaryls and heterocycles. Its electron-rich aromatic core enhances reactivity in palladium-catalyzed couplings, while the methyl groups provide steric protection and improve bench stability. The compound exhibits excellent functional group tolerance and is readily purified by distillation, making it ideal for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • null|null
      95-63-6
    • ~94%
    • In-stock
      1-Bromo-2,4,5-trimethylbenzene|CS-W010515
      5469-19-2

    References

    • Sadygov; Alimardanov; Chalabiev Russian Journal of Organic Chemistry, 2005 , vol. 41, # 11 p. 1631 - 1636
  • Route2
    • 2,4,5-Trimethylbenzenesulfonic acid|CS-W015610
      3453-84-7
    • ~%
    • In-stock
      1-Bromo-2,4,5-trimethylbenzene|CS-W010515
      5469-19-2

    References

    • Journal of the Chemical Society, , p. 1855,1859
  • Route3
    • null|null
      56403-26-0
    • ~%
    • In-stock
      1-Bromo-2,4,5-trimethylbenzene|CS-W010515
      5469-19-2

    References

    • Journal of the American Chemical Society, , vol. 57, p. 942,946

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   3.37436
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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