4-Imidazol-1-yl-5-methylbenzene-1,2-diamine

Base Information

• Chemical Name: 4-Imidazol-1-yl-5-methylbenzene-1,2-diamine
• CAS No.: 131885-80-8
• Molecular Formula: C10H12N4
• Molecular Weight: 188.232
• DSSTox Substance ID: DTXSID801238206
• Mol file: 131885-80-8.mol

Synonyms:131885-80-8;DTXSID801238206;4-(1H-Imidazol-1-yl)-5-methyl-1,2-benzenediamine

Chemical Property of 4-Imidazol-1-yl-5-methylbenzene-1,2-diamine

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.106196400
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N2C=CN=C2)N)N

Technology Process of 4-Imidazol-1-yl-5-methylbenzene-1,2-diamine

There total 10 articles about 4-Imidazol-1-yl-5-methylbenzene-1,2-diamine 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:

5-Imidazol-1-yl-4-methyl-2-nitro-phenylamine (131885-44-4) → 4-Imidazol-1-yl-5-methyl-benzene-1,2-diamine (131885-80-8)

Guidance literature:

With hydrogen; nickel; In methanol; for 3h; under 760 Torr; Ambient temperature;

DOI:10.1021/jm00101a024

Reference yield:

4-(1H-imidazol-1-yl)-5-methyl-2-nitroaniline (143151-14-8) → 4-Imidazol-1-yl-5-methyl-benzene-1,2-diamine (131885-80-8)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In water; under 760 Torr;

Reference yield:

5-nitro-2-fluorotoluene (455-88-9) → 4-Imidazol-1-yl-5-methyl-benzene-1,2-diamine (131885-80-8)

Guidance literature:

Multi-step reaction with 6 steps

1: 3 h / 120 °C

2: H₂, HCl / 10percent Pd/C / methanol / 760 Torr

3: Et₃N / CHCl₃ / Ambient temperature

4: KNO₃, H₂SO₄ / 1.5 h / Ambient temperature

5: aq. HCl / 60 °C

6: H₂, 1N HCl / 10percent Pd/C / H₂O / 760 Torr

With hydrogenchloride; sulfuric acid; hydrogen; potassium nitrate; triethylamine; palladium on activated charcoal; In methanol; chloroform; water;

upstream raw materials:

5-Imidazol-1-yl-4-methyl-2-nitro-phenylamine

4-(1H-imidazol-1-yl)-5-methyl-2-nitroaniline

5-nitro-2-fluorotoluene

4-(1H-imidazol-1-yl)-3-methylaniline