4-(2,6-Dimethylphenoxy)aniline

Base Information

• Chemical Name: 4-(2,6-Dimethylphenoxy)aniline
• CAS No.: 41280-55-1
• Molecular Formula: C14H15NO
• Molecular Weight: 213.279
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID00427970
• Wikidata: Q82240728
• Mol file: 41280-55-1.mol

Synonyms:4-(2,6-dimethylphenoxy)aniline;41280-55-1;Benzenamine, 4-(2,6-dimethylphenoxy)-;SCHEMBL16659204;DTXSID00427970;MFCD07754625;AKOS000215495;DS-4311;SB79223;CS-0153693;C75098

Chemical Property of 4-(2,6-Dimethylphenoxy)aniline

Chemical Property:

• PSA: 35.25000
• LogP: 4.25910
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.115364102
• Heavy Atom Count: 16
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

4-(2,6-Dimethylphenoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)N

Technology Process of 4-(2,6-Dimethylphenoxy)aniline

There total 4 articles about 4-(2,6-Dimethylphenoxy)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: 94.0%

1-(2,6-dimethylphenoxy)-4-nitrobenzene (15158-13-1) → 4-aminophenyl 2,6-dimethylphenyl ether (41280-55-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; under 2280.15 Torr;

DOI:10.1021/jm9905007

Reference yield:

4-chlorobenzonitrile (100-00-5) → 4-aminophenyl 2,6-dimethylphenyl ether (41280-55-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / KOH; CuCl / dimethylsulfoxide / 16 h / 20 °C

2: 94 percent / H₂ / Pd/C / ethyl acetate / 20 °C / 2280.15 Torr

With potassium hydroxide; hydrogen; copper(l) chloride; palladium on activated charcoal; In dimethyl sulfoxide; ethyl acetate; 1: Condensation / 2: Catalytic hydrogenation;

DOI:10.1021/jm9905007

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) → 4-aminophenyl 2,6-dimethylphenyl ether (41280-55-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / KOH; CuCl / dimethylsulfoxide / 16 h / 20 °C

2: 94 percent / H₂ / Pd/C / ethyl acetate / 20 °C / 2280.15 Torr

With potassium hydroxide; hydrogen; copper(l) chloride; palladium on activated charcoal; In dimethyl sulfoxide; ethyl acetate; 1: Condensation / 2: Catalytic hydrogenation;

DOI:10.1021/jm9905007

upstream raw materials:

1-(2,6-dimethylphenoxy)-4-nitrobenzene

2.6-dimethylphenol

4-chlorobenzonitrile

Downstream raw materials:

2,6-dimethylphenoxyphenol

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