4-(4-Methyl-1h-imidazol-1-yl)benzenamine

Base Information

• Chemical Name: 4-(4-Methyl-1h-imidazol-1-yl)benzenamine
• CAS No.: 102791-87-7
• Molecular Formula: C10H11N3
• Molecular Weight: 173.217
• DSSTox Substance ID: DTXSID70580985
• Wikidata: Q72440699
• Mol file: 102791-87-7.mol

Synonyms:4-(4-Methyl-1h-imidazol-1-yl)benzenamine;102791-87-7;4-(4-methyl-1H-imidazol-1-yl)aniline;4-(4-methylimidazol-1-yl)aniline;MFCD09834629;Benzenamine, 4-(4-methyl-1H-imidazol-1-yl)-;SCHEMBL264998;DTXSID70580985;PJUPTRYCQKQLCI-UHFFFAOYSA-N;4-(4-methyl-1-imidazolyl)aniline;CS-B0457;AKOS005258744;4-(4-Methyl-imidazol-1-yl)-phenylamine;AM802853;AS-39563;4-methyl-1-(4-aminophenyl)-1H-imidazole;Benzenamine,4-(4-methyl-1H-imidazol-1-yl)-;A19548;A800619;W-204465

Chemical Property of 4-(4-Methyl-1h-imidazol-1-yl)benzenamine

Chemical Property:

• Appearance/Colour: Kind of white to yellow powder
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.625
• Boiling Point: 367.586 °C at 760 mmHg
• PKA: 6.55±0.61(Predicted)
• Flash Point: 176.11 °C
• PSA: 43.84000
• Density: 1.171 g/cm³
• LogP: 2.34410
• Storage Temp.: 2-8°C
• 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: 164

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Methyl-1H-imidazol-1-yl)benzenamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C=N1)C2=CC=C(C=C2)N
• Uses: 4-(4-Methyl-1H-imidazol-1-yl)benzenamine is used for preparation of substituted N-?phenyl-?4-?aryl-?2-?pyrimidinamines as mediator release inhibitors.

Technology Process of 4-(4-Methyl-1h-imidazol-1-yl)benzenamine

There total 3 articles about 4-(4-Methyl-1h-imidazol-1-yl)benzenamine 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: 90.0%

4-methyl-1-(4-nitrophenyl)-1H-imidazole (90946-21-7) → 4-methyl-1-(4-aminophenyl)-1H-imidazole (102791-87-7)

Guidance literature:

With ammonium formate; palladium 10% on activated carbon; In ethanol; for 2h; Reflux; Inert atmosphere;

Reference yield: 55.0%

→ 4-methyl-1-(4-aminophenyl)-1H-imidazole (102791-87-7)

Guidance literature:

Reference yield:

4-Fluoronitrobenzene (350-46-9,178603-76-4) → 4-methyl-1-(4-aminophenyl)-1H-imidazole (102791-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 110 °C / Inert atmosphere

2: hydrogen; palladium 10% on activated carbon / methanol / 16 h / 20 °C

With palladium 10% on activated carbon; hydrogen; potassium carbonate; In methanol; N,N-dimethyl-formamide;

upstream raw materials:

4-methyl-1-(4-nitrophenyl)-1H-imidazole

4-Fluoronitrobenzene

Downstream raw materials:

3-ethoxy-N-[4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylamide

2-(4-fluorophenyl)-1-methyl-N-[4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-benzimidazol-4-amine

1,1-dimethylethyl (3-{[4-(4-methyl-1H-imidazol-1-yl)phenyl]amino}butanoyl)carbamate

[6-(4-methyl-1H-imidazol-1-yl)-2-(phenyl)]quinoline

Refernces

• 1、 -. "FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF". Paragraph 0303. . Retrieved 2015/05/19.
• 2、 -. "Tetrahydroquinoline Derivatives And Their Pharmaceutical Use". Page/Page column 44. . Retrieved 2012/08/28.