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CS-W001157 4
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2-(2,6-Dibromophenyl)acetic acid

  • CAS No. 901310-02-9

  • Cat. No. CS-0094502
  • Purity≥98%
  • MDL No.MFCD09832981

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

2-(2,6-Dibromophenyl)acetic acid|CS-0094502

Structure of 901310-02-9

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General Information

  • CAS No. 901310-02-9
  • Cat. No. CS-0094502
  • Purity ≥98%
  • MDL No. MFCD09832981
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Br₂O₂
  • Molecular Weight 293.94
  • Synonym(s) 2,6-Dibromobenzeneacetic acid
  • SMILES O=C(O)CC1=C(Br)C=CC=C1Br

Description

2-(2,6-Dibromophenyl)acetic acid features a dibrominated aromatic ring fused to an acetic acid side chain, delivering high electron deficiency and enhanced stability. This configuration supports direct integration into cross-coupling reactions and facilitates the construction of complex halogenated scaffolds in medicinal chemistry and materials science.

Application

2-(2,6-Dibromophenyl)acetic acid serves as a versatile building block for brominated aromatic scaffolds in medicinal chemistry and materials synthesis. Its ortho-dibromo substitution pattern enables subsequent palladium-catalyzed cross-coupling reactions, while the carboxylic acid group facilitates derivatization via esterification or amide formation. The compound exhibits good bench stability and is readily purified by recrystallization, supporting its use in multi-step synthetic sequences requiring functional group tolerance and predictable reactivity.

Synthesis

  • Route1

    References

    • van den Hoogenband, Adri; Lange, Jos H.M.; Iwema-Bakker, Wouter I.; den Hartog, Jack A.J.; van Schaik, Jord; Feenstra, Rolf W.; Terpstra, Jan Willem Tetrahedron Letters, 2006 , vol. 47, # 26 p. 4361 - 4364
  • Route2

    References

    • Tetrahedron Letters, , vol. 47, # 26 p. 4361 - 4364

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.8387
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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