2-(2-methyl-1H-imidazol-1-yl)aniline

Base Information

• Chemical Name: 2-(2-methyl-1H-imidazol-1-yl)aniline
• CAS No.: 26286-55-5
• Molecular Formula: C10H11N3
• Molecular Weight: 173.217
• Hs Code.: 2933290090
• European Community (EC) Number: 894-843-9
• DSSTox Substance ID: DTXSID40545965
• Wikidata: Q82423627
• Mol file: 26286-55-5.mol

Synonyms:2-(2-methyl-1H-imidazol-1-yl)aniline;26286-55-5;2-(2-Methyl-imidazol-1-yl)-phenylamine;2-(2-methylimidazol-1-yl)aniline;SCHEMBL6258693;AMY4648;DTXSID40545965;MFCD08699292;AKOS000148080;BS-16324;CS-0152774;[2-(2-methyl-1H-imidazol-1-yl)phenyl]amine;EN300-55312;Benzenamine, 2-(2-methyl-1H-imidazol-1-yl)-

Chemical Property of 2-(2-methyl-1H-imidazol-1-yl)aniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 132.5 °C
• Refractive Index: 1.625
• Boiling Point: 372.167 °C at 760 mmHg
• PKA: 7.07±0.10(Predicted)
• Flash Point: 178.881 °C
• PSA: 43.84000
• Density: 1.171 g/cm³
• LogP: 2.34410
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(2-methyl-1H-imidazol-1-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CN1C2=CC=CC=C2N

Technology Process of 2-(2-methyl-1H-imidazol-1-yl)aniline

There total 5 articles about 2-(2-methyl-1H-imidazol-1-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: 98.0%

2-methyl-1-(2-nitrophenyl)-1H-imidazole (26286-51-1) → 1-(2-amino)phenyl-2-methylimidazole (26286-55-5)

Guidance literature:

With palladium 10% on activated carbon; hydrazine hydrate; In ethanol; for 1h; Reflux;

DOI:10.1016/j.ejmech.2017.07.021

Reference yield: 68.0%

2-methylimidazole (693-98-1) + 2-iodophenylamine (615-43-0) → 1-(2-amino)phenyl-2-methylimidazole (26286-55-5)

Guidance literature:

With 8-quinolinol; potassium carbonate; copper(l) iodide; In dimethyl sulfoxide; at 125 - 130 ℃;

Reference yield:

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 1-(2-amino)phenyl-2-methylimidazole (26286-55-5)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetonitrile / 24 h / Heating

2: H₂ / 10percent Pd/C / ethanol / 2 h / 2585.7 Torr / Ambient temperature

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; acetonitrile;

DOI:10.1021/jm00113a002

upstream raw materials:

2-methyl-1-(2-nitrophenyl)-1H-imidazole

ortho-nitrofluorobenzene

2-methylimidazole

2-iodophenylamine

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