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CS-W001157 4
Total: USD 88.00

2-Bromo-5-methylbenzoic acid

  • CAS No. 6967-82-4

  • Cat. No. CS-W014909
  • Purity≥97%
  • MDL No.MFCD00079722

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

2-Bromo-5-methylbenzoic acid|CS-W014909

Structure of 6967-82-4

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General Information

  • CAS No. 6967-82-4
  • Cat. No. CS-W014909
  • Purity ≥97%
  • MDL No. MFCD00079722
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₂
  • Molecular Weight 215.05
  • Synonym(s) Benzoic acid, 2-bromo-5-methyl-
  • SMILES C1=C(C(=CC=C1C)Br)C(O)=O

Description

2'-Fluoro-2'-deoxyadenosine is a potential prodrug for 2-fluroadenine, involves deoxygenation by reduction of the 2'-thiocar-bonylimidazolide with (Tms)3SiH as hydrogen donor.

Application

2-Bromo-5-methylbenzoic acid serves as a versatile building block in medicinal chemistry and materials synthesis, enabling direct functionalization at the aromatic ring via palladium-catalyzed cross-coupling reactions. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the carboxylic acid and methyl substituents provide orthogonal reactivity for further derivatization. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for iterative synthetic campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • Justus Liebigs Annalen der Chemie, , vol. 546, p. 277,291
  • Route2

    References

    • Chemische Berichte, , vol. 14, p. 2356
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 25, p. 1016 - 1020

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.45572
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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