4-tert-butyl-2-hydroxybenzoic acid

Base Information

• Chemical Name: 4-tert-butyl-2-hydroxybenzoic acid
• CAS No.: 4578-63-6
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918290000
• Mol file: 4578-63-6.mol

Synonyms:4-tert-butyl-2-hydroxybenzoic acid;

Chemical Property of 4-tert-butyl-2-hydroxybenzoic acid

Chemical Property:

• Melting Point: 154-155 °C
• Boiling Point: 319.3±35.0 °C(Predicted)
• PKA: 3.19±0.10(Predicted)
• PSA: 57.53000
• Density: 1.162±0.06 g/cm3(Predicted)
• LogP: 2.38790
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

4-(tert-Butyl)-2-hydroxybenzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-tert-butyl-2-hydroxybenzoic acid

There total 3 articles about 4-tert-butyl-2-hydroxybenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

carbon dioxide (124-38-9,18923-20-1) + 3-tert-butylphenyol (585-34-2) → 2-hydroxy-4-tert-butyl-benzoic acid (4578-63-6)

Guidance literature:

3-tert-butylphenyol; With Mesitol; sodium hydride; In mineral oil; at 100 ℃; for 0.0833333h; Glovebox;

carbon dioxide; In mineral oil; at 185 ℃; for 2h; under 3800.26 Torr;

DOI:10.1002/chem.201601114

Reference yield: 75.0%

4-(1,1-dimethylethyl)benzoic acid (98-73-7) → 2-hydroxy-4-tert-butyl-benzoic acid (4578-63-6)

Guidance literature:

With tert.-butylhydroperoxide; (2S,3S)-N-acetyl-2-amino-3-methylpentanoic acid; potassium acetate; palladium diacetate; p-benzoquinone; In 1,2-dimethoxyethane; water; at 100 ℃;

DOI:10.1016/j.tetlet.2021.153434

Reference yield:

→ 2-hydroxy-4-tert-butyl-benzoic acid (4578-63-6)

Guidance literature:

Salicylsaeure + tert-Butanol + 100percentige H3PO4 in Methylcyclohexan <80-85grad;8h>;

upstream raw materials:

carbon dioxide

3-tert-butylphenyol

4-(1,1-dimethylethyl)benzoic acid

Downstream raw materials:

2-benzyloxy-4-tert-butylbenzoic acid benzyl ester

4-tert-butyl-2-methoxy-benzoyl chloride

4-({5-[({[4-(1,1-dimethylethyl)-2-hydroxyphenyl]carbonyl}amino)-methyl]-1,6-diethyl-1H-pyrazolo[3,4-b]pyridin-4-yl}amino)-1-piperidine-carboxamide

Refernces

• 1、 Luo, Junfei,Preciado, Sara,Xie, Pan,Larrosa, Igor. "Carboxylation of Phenols with CO2 at Atmospheric Pressure". supporting information. p. 6798 - 6802. Retrieved 2016/05/11.