2-(1-Azepanyl)-5-(trifluoromethyl)aniline

Base Information

• Chemical Name: 2-(1-Azepanyl)-5-(trifluoromethyl)aniline
• CAS No.: 858126-26-8
• Molecular Formula: C13H17F3N2
• Molecular Weight: 258.287
• Mol file: 858126-26-8.mol

Synonyms:(+/-)-glycidyl arachidonate;2-(azacycloheptan-1-yl)-5-(trifluoromethyl) aniline;O-Arachidonoyl Glycidol;2-(arachidonoyloxymethyl)oxirane;1-[2-amino-4-(trifluoromethyl)phenyl]-hexahydro-1H-azepine;oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;

Chemical Property of 2-(1-Azepanyl)-5-(trifluoromethyl)aniline

Chemical Property:

• PSA: 29.26000
• LogP: 4.31420

Purity/Quality:

97% ^*data from raw suppliers

2-(1-Azepanyl)-5-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(1-Azepanyl)-5-(trifluoromethyl)aniline

There total 4 articles about 2-(1-Azepanyl)-5-(trifluoromethyl)aniline 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: 86.3%

hexahydro-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-azepine (62054-71-1) → 2-(azepan-1-yl)-5-(trifluoromethyl)aniline (858126-26-8)

Guidance literature:

hexahydro-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-azepine; With hydrogenchloride; tin(ll) chloride; In methanol; at 0 ℃; for 2h;

With water; sodium hydrogencarbonate; In methanol;

Reference yield: 79.8%

→ 2-(azepan-1-yl)-5-(trifluoromethyl)aniline (858126-26-8)

Guidance literature:

Reference yield:

1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) → 2-(azepan-1-yl)-5-(trifluoromethyl)aniline (858126-26-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 0 - 80 °C

2: zinc; ammonium chloride / ethanol / 16 h / Inert atmosphere; Reflux

With potassium carbonate; ammonium chloride; zinc; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bioorg.2021.105244

upstream raw materials:

hexahydro-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-azepine

1-fluoro-2-nitro-4-trifluoromethyl-benzene

hexamethylene imine

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