2-aMino-1-(4-fluoro-3-(trifluoroMethyl)phenyl)ethanone 4-Methylbenzenesulfonate

Base Information

• Chemical Name: 2-aMino-1-(4-fluoro-3-(trifluoroMethyl)phenyl)ethanone 4-Methylbenzenesulfonate
• CAS No.: 1082951-17-4
• Molecular Formula: C16H15F4NO4S
• Molecular Weight: 393.359
• Hs Code.: 2922399090
• Mol file: 1082951-17-4.mol

Synonyms:2-aMino-1-(4-fluoro-3-(trifluoroMethyl)phenyl)ethanone 4-Methylbenzenesulfonate;2-AMino-1-[4-fluoro-3-(trifluoroMethyl)phenyl]ethanone p-Toluenesulfonate Salt

Chemical Property of 2-aMino-1-(4-fluoro-3-(trifluoroMethyl)phenyl)ethanone 4-Methylbenzenesulfonate

Chemical Property:

• PSA: 105.84000
• LogP: 5.00870

Purity/Quality:

98.5% ^*data from raw suppliers

2-Amino-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone4-Methylbenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-aMino-1-(4-fluoro-3-(trifluoroMethyl)phenyl)ethanone 4-Methylbenzenesulfonate

There total 3 articles about 2-aMino-1-(4-fluoro-3-(trifluoroMethyl)phenyl)ethanone 4-Methylbenzenesulfonate 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: 85.0%

2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-one (537050-14-9) + toluene-4-sulfonic acid (104-15-4) → (2-amino-1-(4-fluoro, 3-trifluoromethyl-phenyl)-ethanone) p-toluenesulfonate (1082951-17-4)

Guidance literature:

2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-one; With sodium azide; In tetrahydrofuran; water; for 2h;

toluene-4-sulfonic acid; With triphenylphosphine; In tetrahydrofuran; at 15 - 20 ℃; for 5h;

Reference yield:

C9H5F4N3O + toluene-4-sulfonic acid (104-15-4) → (2-amino-1-(4-fluoro, 3-trifluoromethyl-phenyl)-ethanone) p-toluenesulfonate (1082951-17-4)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; at 20 ℃; Product distribution / selectivity;

Reference yield:

2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-one (537050-14-9) → (2-amino-1-(4-fluoro, 3-trifluoromethyl-phenyl)-ethanone) p-toluenesulfonate (1082951-17-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium azide / tetrahydrofuran; water / 10 h / -2 - 2 °C / Large scale reaction

2: triphenylphosphine / tetrahydrofuran / 26 h / 20 °C / Inert atmosphere; Cooling; Large scale reaction

With sodium azide; triphenylphosphine; In tetrahydrofuran; water;

DOI:10.1021/op200351g

upstream raw materials:

2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-one

toluene-4-sulfonic acid

Downstream raw materials:

4-[2-oxo-2-(4-fluoro-3-trifluoromethylphenyl)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester

2-{5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(piperidin-4-yl)-1H-imidazol-1-yl}-N,N-dimethylethanamine

2-{5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyridine-4-yl)-1H-imidazol-1-yl}-N,N-dimethylethanamine

2-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-yl)-1H-imidazol-1-yl}-N,N-dimethylethanamine

Refernces

• 1、 -. "AKT AND P70 S6 KINASE INHIBITORS". Page/Page column 9. . Retrieved 2010/06/11.