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CS-W001157 4
Total: USD 88.00

4-(ETHOXYCARBONYL)BENZOIC ACID

  • CAS No. 713-57-5

  • Cat. No. CS-0061577
  • Purity≥98%
  • MDL No.None

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

4-(ETHOXYCARBONYL)BENZOIC ACID|CS-0061577

Structure of 713-57-5

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General Information

  • CAS No. 713-57-5
  • Cat. No. CS-0061577
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) TEREPHTHALIC ACID MONOETHYL ESTER
  • SMILES CCOC(=O)C1=CC=C(C=C1)C(=O)O

Description

4-(Ethoxycarbonyl)benzoic acid features a para-substituted ethyl ester group that enhances solubility in organic solvents while maintaining robust stability under standard bench conditions. This carboxylic acid derivative integrates readily into coupling reactions and serves as a key intermediate for synthesizing functionalized aromatic compounds.

Application

4-(Ethoxycarbonyl)benzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling straightforward access to substituted benzoic acid derivatives. Its ethyl ester group facilitates selective hydrolysis or coupling reactions, while the carboxylic acid functions as a handle for amide formation, esterification, or metal complexation. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for use in multi-step synthetic sequences requiring functional group compatibility and predictable reactivity.

Synthesis

  • Route1
    • In-stock
      Ethyl 4-bromobenzoate|CS-W007730
      5798-75-4
    • null|null
      124-38-9
    • ~76%
    • In-stock
      4-(ETHOXYCARBONYL)BENZOIC ACID|CS-0061577
      713-57-5

    References

    • Yeung, Charles S.; Dong, Vy M. Journal of the American Chemical Society, 2008 , vol. 130, # 25 p. 7826 - 7827
  • Route2

    References

    • Chenot, Elodie-Denise; Bernardi, Dan; Comel, Alain; Kirsch, Gilbert Synthetic Communications, 2007 , vol. 37, # 3 p. 483 - 490
  • Route3

    References

    • Cacchi, Sandro; Fabrizi, Giancarlo; Goggiamani, Antonella Organic Letters, 2003 , vol. 5, # 23 p. 4269 - 4272

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   63.6
  • LogP   1.5615
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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