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CS-W001157 4
Total: USD 88.00

2-(4-Bromo-2,6-dimethylphenoxy)acetic acid

  • CAS No. 455887-97-5

  • Cat. No. CS-0364644
  • Purity≥98%
  • MDL No.None

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

2-(4-Bromo-2,6-dimethylphenoxy)acetic acid|CS-0364644

Structure of 455887-97-5

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General Information

  • CAS No. 455887-97-5
  • Cat. No. CS-0364644
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁BrO₃
  • Molecular Weight 259.10
  • Synonym(s) None
  • SMILES CC1=C(C(=CC(=C1)Br)C)OCC(=O)O

Description

This boronate moiety integrates a brominated phenoxy scaffold with a pendant acetic acid group, enabling direct coupling in Suzuki-Miyaura reactions. The electron-deficient aryl ring enhances reactivity, while the methyl substituents provide steric stabilization. This compound serves as a key building block for bioactive heterocycles and functional polymers under standard conditions.

Application

2-(4-Bromo-2,6-dimethylphenoxy)acetic acid serves as a versatile building block for the synthesis of bioactive molecules, particularly in medicinal chemistry and agrochemical research. The molecule combines a sterically hindered aryl bromide with a pendant carboxylic acid, enabling efficient Suzuki-Miyaura coupling and derivatization via standard esterification or amide formation. Its bench-stable nature and compatibility with diverse reaction conditions facilitate integration into multi-step syntheses.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.52934
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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