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CS-W001157 4
Total: USD 88.00

3-(4-Bromophenyl)-2,2-dimethylpropanoic acid

  • CAS No. 186498-30-6

  • Cat. No. CS-0216079
  • Purity≥97%
  • MDL No.None

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

3-(4-Bromophenyl)-2,2-dimethylpropanoic acid|CS-0216079

Structure of 186498-30-6

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General Information

  • CAS No. 186498-30-6
  • Cat. No. CS-0216079
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃BrO₂
  • Molecular Weight 257.12
  • Synonym(s) None
  • SMILES O=C(O)C(C)(C)CC(C=C1)=CC=C1Br

Description

This brominated aromatic acid features a sterically hindered dimethylpropanoate backbone, enabling stable incorporation into complex synthetic architectures. The para-bromophenyl group provides a reactive handle for cross-coupling transformations, while the carboxylic acid functionality facilitates direct derivatization or conjugation under standard conditions.

Application

3-(4-Bromophenyl)-2,2-dimethylpropanoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient construction of biaryl scaffolds via palladium-catalyzed cross-coupling reactions. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the sterically hindered tert-butyl carboxylic acid moiety enhances metabolic stability and provides a robust handle for derivatization. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses requiring high functional group tolerance.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.1024
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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