4-tert-Butylbenzoic acid

Base Information

• Chemical Name: 4-tert-Butylbenzoic acid
• CAS No.: 1077-58-3
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• Mol file: 1077-58-3.mol

Synonyms:Benzoicacid, o-tert-butyl- (6CI,7CI,8CI); 2-tert-Butylbenzoic acid; NSC 86592;o-tert-Butylbenzoic acid

Chemical Property of 4-tert-Butylbenzoic acid

Chemical Property:

• Vapor Pressure: 0.00146mmHg at 25°C
• Melting Point: 74.55°C
• Refractive Index: 1.5201 (estimate)
• Boiling Point: 283.8°Cat760mmHg
• PKA: 3.54(at 25℃)
• Flash Point: 135.1°C
• PSA: 37.30000
• Density: 1.056g/cm³
• LogP: 2.68230
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

2-(tert-Butyl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-tert-Butylbenzoic Acid is a useful research chemical for organic synthesis and other chemical processes.

Technology Process of 4-tert-Butylbenzoic acid

There total 19 articles about 4-tert-Butylbenzoic 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: 96.0%

N-methyl-N-[2-(2-tert-butylphenylcarboxy)-1,1-dimethylethyl]-trifluoromethanesulfonamide → 2-tert-butylbenzoic acid (1077-58-3)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide;

Reference yield: 96.0%

2-tert-Butyl-benzoic acid 2-methyl-2-(methyl-trifluoromethanesulfonyl-amino)-propyl ester (139287-38-0) → 2-tert-butylbenzoic acid (1077-58-3)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 110 ℃; for 4h;

DOI:10.1080/00397919208021074

Reference yield: 77.0%

2-(trimethylsilyl)phenyl trifluoromethanesulfonate (198206-03-0) + carbon dioxide (124-38-9,18923-20-1) → 2-tert-butylbenzoic acid (1077-58-3)

Guidance literature:

o-(tert-butyl)phenyl trifluoromethanesulfonate; carbon dioxide; With manganese; bis(triphenylphosphine)nickel(II) diiodide; In N,N-dimethyl acetamide; at 40 ℃; for 20h; under 760.051 Torr; Schlenk technique;

With hydrogenchloride; In diethyl ether; water; at 20 ℃; for 0.166667h; Schlenk technique;

DOI:10.1021/acs.joc.5b02307

upstream raw materials:

carbon dioxide

2-tert-butylbromobenzene

3-bromo-4-(tert-butyl)aniline

2-tert-Butyl-benzoic acid 2-methyl-2-trifluoromethanesulfonylamino-propyl ester

Downstream raw materials:

2-tert-butyl-5-nitrobenzoic acid

methyl 2-(tert-butyl)benzoate

2-tert-butylbenzoyl chloride

2-tert-butylbenzophenone