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CS-W001157 4
Total: USD 88.00

4-(tert-Butoxy)benzoic acid

  • CAS No. 13205-47-5

  • Cat. No. CS-0042926
  • Purity≥97%
  • MDL No.MFCD00082602

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

4-(tert-Butoxy)benzoic acid|CS-0042926

Structure of 13205-47-5

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General Information

  • CAS No. 13205-47-5
  • Cat. No. CS-0042926
  • Purity ≥97%
  • MDL No. MFCD00082602
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₃
  • Molecular Weight 194.23
  • Synonym(s) 4-tert-Butoxybenzoic Acid
  • SMILES CC(C)(C)OC1=CC=C(C=C1)C(O)=O

Description

4-(tert-Butoxy)benzoic acid features a para-tert-butoxy group that enhances solubility in organic media while maintaining stability under standard bench conditions. This electron-donating substituent modulates the carboxylic acid’s reactivity, enabling efficient coupling in peptide and ester synthesis.

Application

4-(tert-Butoxy)benzoic acid serves as a versatile building block for the synthesis of bioactive molecules and functional materials. Its tert-butoxy group offers excellent stability under basic conditions and can be selectively cleaved during late-stage functionalization. The carboxylic acid moiety enables straightforward coupling reactions, including amide formation and esterification, facilitating access to diverse pharmaceutical intermediates and polymer precursors.

Synthesis

  • Route1
    • Ethyl 4-hydroxybenzoate Erlotinib Impurity|CS-0167068
      120-47-8
    • null|null
      115-11-7
    • ~54%
    • In-stock
      4-(tert-Butoxy)benzoic acid|CS-0042926
      13205-47-5

    References

    • Kloss, Florian; Pidot, Sacha; Goerls, Helmar; Friedrich, Thorsten; Hertweck, Christian Angewandte Chemie - International Edition, 2013 , vol. 52, # 41 p. 10745 - 10748 Angew. Chem., 2013 , vol. 125, # 41 p. 10945 - 10948,4
  • Route2
    • null|null
      1194-02-1
    • ~%
    • In-stock
      4-(tert-Butoxy)benzoic acid|CS-0042926
      13205-47-5
    • 4-(Tert-butoxy)benzamide|CS-0462810
      99985-67-8

    References

    • US5378728 A1, ;
  • Route3
    • null|null
      507-20-0
    • 4-Hydroxybenzoic acid  Cetirizine Impurity|CS-0167040
      99-96-7
    • ~82%
    • In-stock
      4-(tert-Butoxy)benzoic acid|CS-0042926
      13205-47-5

    References

    • Bandgar; Kasture Journal of Chemical Research - Part S, 2000 , # 5 p. 252 - 253

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   46.53
  • LogP   2.5621
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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