4-(t-Butyl)-2-Ethoxy Benzoic Acid

Base Information

• Chemical Name: 4-(t-Butyl)-2-Ethoxy Benzoic Acid
• CAS No.: 796875-53-1
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• Hs Code.: 2918990090
• Mol file: 796875-53-1.mol

Synonyms:4-(t-Butyl)-2-ethoxy benzoic acid;

Chemical Property of 4-(t-Butyl)-2-Ethoxy Benzoic Acid

Chemical Property:

• Vapor Pressure: 7.07E-05mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 329.6 °C at 760 mmHg
• Flash Point: 118.9 °C
• PSA: 46.53000
• Density: 1.062 g/cm³
• LogP: 3.08100
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

4-tert-Butyl-2-ethoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(t-Butyl)-2-Ethoxy Benzoic Acid

There total 3 articles about 4-(t-Butyl)-2-Ethoxy Benzoic 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: 85.6%

carbon dioxide (124-38-9,18923-20-1) + 1-bromo-2-ethoxy-4-(tert-butyl)benzene (1418005-59-0) → 4-(tert-butyl)-2-ethoxybenzoic acid (796875-53-1)

Guidance literature:

1-bromo-2-ethoxy-4-(tert-butyl)benzene; With iodine; magnesium; In tetrahydrofuran; at 40 - 78 ℃; for 4h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at -20 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b00664

Reference yield:

3-tert-butylphenyol (585-34-2) → 4-(tert-butyl)-2-ethoxybenzoic acid (796875-53-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: bromine / dichloromethane / 35 °C

2.1: potassium tert-butylate / tetrahydrofuran / 8 h / Reflux

3.1: magnesium; iodine / 2.5 h / 40 °C / Reflux

3.2: -20 °C

With potassium tert-butylate; bromine; iodine; magnesium; In tetrahydrofuran; dichloromethane;

DOI:10.1021/op300254q

Reference yield:

2-bromo-5-(1,1-dimethylethyl)phenol (20942-68-1) → 4-(tert-butyl)-2-ethoxybenzoic acid (796875-53-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate / tetrahydrofuran / 8 h / Reflux

2.1: magnesium; iodine / 2.5 h / 40 °C / Reflux

2.2: -20 °C

With potassium tert-butylate; iodine; magnesium; In tetrahydrofuran;

DOI:10.1021/op300254q

upstream raw materials:

carbon dioxide

1-bromo-2-ethoxy-4-(tert-butyl)benzene

2-bromo-5-(1,1-dimethylethyl)phenol

3-tert-butylphenyol

Downstream raw materials:

2-(4-tert-butyl-2-ethoxyphenyl)-cis-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole hydrochloride

Refernces

• 1、 Shu, Lianhe,Wang, Ping,Liu, Wen,Gu, Chen. "A practical synthesis of a cis -4,5-Bis(4-chlorophenyl)imidazoline Intermediate for Nutlin analogues". . p. 1866 - 1869. Retrieved 2013/01/15.