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CS-W001157 4
Total: USD 88.00

3-(3-Bromophenyl)propanoic acid

  • CAS No. 42287-90-1

  • Cat. No. CS-D0633
  • Purity≥95%
  • MDL No.MFCD01310792

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

3-(3-Bromophenyl)propanoic acid|CS-D0633

Structure of 42287-90-1

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General Information

  • CAS No. 42287-90-1
  • Cat. No. CS-D0633
  • Purity ≥95%
  • MDL No. MFCD01310792
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₂
  • Molecular Weight 229.07
  • Synonym(s) M-broMohydrocinnaic acid
  • SMILES O=C(O)CCC1=CC=CC(Br)=C1

Description

A potassium channel antagonist which blocks the postischemic effects of the potassium channel activator cromakalim

Application

3-(3-Bromophenyl)propanoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient construction of biaryl and heterocyclic scaffolds. Its brominated aromatic ring facilitates palladium-catalyzed cross-coupling reactions, while the carboxylic acid group supports direct derivatization or esterification. The compound exhibits good bench stability and compatibility with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • 2-(3-bromobenzyl)malonic acid|CS-0001477
      125115-01-7
    • ~82%
    • In-stock
      3-(3-Bromophenyl)propanoic acid|CS-D0633
      42287-90-1

    References

    • Matveeva; Podrugina; Morozkina; Zefirova; Seregin; Bachurin; Pellicciari; Zefirov Russian Journal of Organic Chemistry, 2002 , vol. 38, # 12 p. 1769 - 1774
  • Route2

    References

    • Sharma, Anil K.; Subramani, Amutha V.; Gorman, Christopher B. Tetrahedron, 2007 , vol. 63, # 2 p. 389 - 395
  • Route3

    References

    • Matveeva; Podrugina; Morozkina; Zefirova; Seregin; Bachurin; Pellicciari; Zefirov Russian Journal of Organic Chemistry, 2002 , vol. 38, # 12 p. 1769 - 1774

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.4663
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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