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CS-W001157 4
Total: USD 88.00

Ethyl 3-(2-bromophenyl)propanoate

  • CAS No. 135613-33-1

  • Cat. No. CS-0151588
  • Purity≥98%
  • MDL No.MFCD07772962

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

Ethyl 3-(2-bromophenyl)propanoate|CS-0151588

Structure of 135613-33-1

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General Information

  • CAS No. 135613-33-1
  • Cat. No. CS-0151588
  • Purity ≥98%
  • MDL No. MFCD07772962
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃BrO₂
  • Molecular Weight 257.12
  • Synonym(s) O-broMophenolethyl propionate
  • SMILES CCOC(=O)CCC1=CC=CC=C1Br

Description

Ethyl 3-(2-bromophenyl)propanoate features a brominated phenyl ring positioned ortho to the propionate chain, enabling direct functionalization in cross-coupling reactions. This bench-stable ester integrates readily into synthetic sequences requiring aryl halide handles, delivering high yields under standard palladium-catalyzed conditions.

Application

Ethyl 3-(2-bromophenyl)propanoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined aryl bromide functionality. The ester group offers compatibility with standard reductions and hydrolysis protocols, facilitating access to carboxylic acid derivatives. Its bench-stable nature and predictable reactivity make it suitable for iterative synthesis of complex scaffolds, including biaryl and heterocyclic systems common in medicinal chemistry workflows.

Synthesis

  • Route1
    • null|null
      3054-95-3
    • In-stock
      1-Bromo-2-iodobenzene|CS-W008713
      583-55-1
    • ~88%
    • In-stock
      Ethyl 3-(2-bromophenyl)propanoate|CS-0151588
      135613-33-1

    References

    • Battistuzzi, Gianfranco; Cacchi, Sandro; Fabrizi, Giancarlo; Bernini, Roberta Synlett, 2003 , # 8 p. 1133 - 1136
  • Route2
    • null|null
      64-17-5
    • In-stock
      3-(2-Bromophenyl)propionic acid|CS-W007510
      15115-58-9
    • ~92%
    • In-stock
      Ethyl 3-(2-bromophenyl)propanoate|CS-0151588
      135613-33-1

    References

    • Nesloney, Carey L.; Kelly, Jeffery W. Journal of Organic Chemistry, 1996 , vol. 61, # 9 p. 3127 - 3137
  • Route3
    • (E)-3-(2-Bromophenyl)acrylic acid|CS-W014204
      7345-79-1
    • ~%
    • In-stock
      Ethyl 3-(2-bromophenyl)propanoate|CS-0151588
      135613-33-1

    References

    • Journal of Organic Chemistry, , vol. 61, # 9 p. 3127 - 3137

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.9448
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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