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CS-W001157 4
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2-(4-Bromophenyl)butanoic acid

  • CAS No. 99070-18-5

  • Cat. No. CS-0152620
  • Purity≥95%
  • MDL No.MFCD01737245

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

2-(4-Bromophenyl)butanoic acid|CS-0152620

Structure of 99070-18-5

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General Information

  • CAS No. 99070-18-5
  • Cat. No. CS-0152620
  • Purity ≥95%
  • MDL No. MFCD01737245
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁BrO₂
  • Molecular Weight 243.10
  • Synonym(s) 4-BroMo-α-ethyl-benzeneacetic acid
  • SMILES CCC(C1=CC=C(C=C1)Br)C(=O)O

Description

2-(4-Bromophenyl)butanoic acid features a brominated aromatic ring conjugated to a chiral aliphatic chain, enabling direct integration into pharmaceutical intermediates. This bench-stable carboxylic acid derivative facilitates coupling reactions under standard conditions and serves as a key scaffold in bioactive molecule synthesis.

Application

2-(4-Bromophenyl)butanoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient construction of biaryl-containing scaffolds. Its brominated aryl group facilitates palladium-catalyzed cross-coupling reactions, while the carboxylic acid functionality supports derivatization via esterification, amide formation, or decarboxylation. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for scalable laboratory applications.

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 37, # 11 p. 1704 - 1711
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 37, # 11 p. 1704 - 1711
  • Route3
    • null|null
      75-03-6
    • In-stock
      4-Bromobenzeneacetic acid|CS-D0933
      1878-68-8
    • ~%
    • In-stock
      2-(4-Bromophenyl)butanoic acid|CS-0152620
      99070-18-5

    References

    • Journal of the American Chemical Society, , vol. 133, # 31 p. 11936 - 11939

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.0273
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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