Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

3-(tert-Butyl)-4-hydroxybenzoic acid

  • CAS No. 66737-88-0

  • Cat. No. CS-0144090
  • Purity≥98%
  • MDL No.MFCD00016535

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

3-(tert-Butyl)-4-hydroxybenzoic acid|CS-0144090

Structure of 66737-88-0

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 66737-88-0
  • Cat. No. CS-0144090
  • Purity ≥98%
  • MDL No. MFCD00016535
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₃
  • Molecular Weight 194.23
  • Synonym(s) 3-Tert-butyl-4-hydroxybenzoic acid
  • SMILES O=C(C1=CC=C(C(C(C)(C)C)=C1)O)O

Description

This bench-stable phenolic acid features a sterically hindered tert-butyl group that enhances solubility and resistance to oxidation. The para-hydroxyl and carboxylic acid functionalities enable direct coupling in esterification or amidation reactions, streamlining the synthesis of bioactive intermediates and functionalized polymers under standard conditions.

Application

3-(tert-Butyl)-4-hydroxybenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering a sterically hindered phenolic hydroxyl group ortho to a carboxylic acid. Its stability under standard reaction conditions enables efficient derivatization via esterification, amidation, or direct coupling protocols. The tert-butyl group enhances lipophilicity and metabolic stability, making it valuable for scaffold optimization in bioactive molecule design.

Synthesis

  • Route1

    References

    • MEDIVIR AB Patent: WO2007/144379 A1, 2007 ; Location in patent: Page/Page column 38 ;
  • Route2
    • Methyl 3-tert-butyl-4-hydroxybenzoate|CS-0210597
      39778-63-7
    • ~%
    • In-stock
      3-(tert-Butyl)-4-hydroxybenzoic acid|CS-0144090
      66737-88-0

    References

    • Pei, Zhonghua; Li, Xiaofeng; Longenecker, Kenton; Von Geldern, Thomas W.; Wiedeman, Paul E.; Lubben, Thomas H.; Zinker, Bradley A.; Stewart, Kent; Ballaron, Stephen J.; Stashko, Michael A.; Mika, Amanda K.; Beno, David W. A.; Long, Michelle; Wells, Heidi; Kempf-Grote, Anita J.; Madar, David J.; McDermott, Todd S.; Bhagavatula, Lakshmi; Fickes, Michael G.; Pireh, Daisy; Solomon, Larry R.; Lake, Marc R.; Edalji, Rohinton; Fry, Elizabeth H.; Sham, Hing L.; Trevillyan, James M. Journal of Medicinal Chemistry, 2006 , vol. 49, # 12 p. 3520 - 3535
  • Route3

    References

    • Yuan, Guozan; Zhu, Chengfeng; Liu, Yan; Cui, Yong Chemical Communications, 2011 , vol. 47, # 11 p. 3180 - 3182

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

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   57.53
  • LogP   2.3879
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 3-(tert-Butyl)-4-hydroxybenzoic acid sigma3-(tert-Butyl)-4-hydroxybenzoic acid manufacturer3-(tert-Butyl)-4-hydroxybenzoic acid price3-(tert-Butyl)-4-hydroxybenzoic acid structure3-(tert-Butyl)-4-hydroxybenzoic acid SDSbuy 3-(tert-Butyl)-4-hydroxybenzoic acid3-(tert-Butyl)-4-hydroxybenzoic acid supplier3-(tert-Butyl)-4-hydroxybenzoic acid uses3-(tert-Butyl)-4-hydroxybenzoic acid molecular weightprice of 3-(tert-Butyl)-4-hydroxybenzoic acid3-(tert-Butyl)-4-hydroxybenzoic acid chemical name formula of 3-(tert-Butyl)-4-hydroxybenzoic acid
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label