2-(4-Methylpentan-2-yl)aniline

Base Information

• Chemical Name: 2-(4-Methylpentan-2-yl)aniline
• CAS No.: 203448-76-4
• Molecular Formula: C12H19N
• Molecular Weight: 177.29
• European Community (EC) Number: 700-095-5
• DSSTox Substance ID: DTXSID601019696
• Mol file: 203448-76-4.mol

Synonyms:2-(1,3-Dimethylbutyl)benzenamine;203448-76-4;2-(4-methylpentan-2-yl)aniline;Benzenamine, 2-(1,3-dimethylbutyl)-;2-(1,3-dimethylbutyl)aniline;2-(1,3-dimethylbutyl)-Benzenamine;SCHEMBL708994;LPZZJKBLKQOBMZ-UHFFFAOYSA-N;2-(1,3-dimethylbutyl)phenylamine;DTXSID601019696;MFCD20690644;AKOS037650887;CS-15449;CS-0030818;NS00002819;C13510;2-(1,3-Dimethylbutyl)aniline;2-(1,3-Dimethylbutyl)phenylamine;2-(4-Methylpentan-2-yl)aniline

Chemical Property of 2-(4-Methylpentan-2-yl)aniline

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 177.151749610
• Heavy Atom Count: 13
• Complexity: 142

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)C1=CC=CC=C1N

Technology Process of 2-(4-Methylpentan-2-yl)aniline

There total 3 articles about 2-(4-Methylpentan-2-yl)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: 91.0%

→ 2-(1,3-dimethylbutyl)-aniline (203448-76-4)

Guidance literature:

Reference yield:

2-(1-hydroxy-1,3-dimethylbutyl)aniline → 2-(1,3-dimethylbutyl)-aniline (203448-76-4)

Guidance literature:

2-(1-hydroxy-1,3-dimethylbutyl)aniline; With toluene-4-sulfonic acid; In toluene; Dean-Stark; Reflux;

With 5%-palladium/activated carbon; hydrogen; In methanol; for 24h;

DOI:10.1021/acs.joc.8b00199

Reference yield:

2-aminoacetophenone (551-93-9) → 2-(1,3-dimethylbutyl)-aniline (203448-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diethyl ether; tetrahydrofuran / 13 h / -30 - 20 °C

2.1: toluene-4-sulfonic acid / toluene / Dean-Stark; Reflux

2.2: 24 h

With toluene-4-sulfonic acid; In tetrahydrofuran; diethyl ether; toluene;

DOI:10.1021/acs.joc.8b00199

upstream raw materials:

2-aminoacetophenone

Downstream raw materials:

N-[2-(1,3-dimethyl-butyl)-phenyl]acetamide

2-(1,3-dimethylbutyl)cyclohexylamine

N-cyclopropyl-2-(1,3-dimethylbutyl)aniline

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