5-Amino-1-(4-methylphenyl)-1H-imidazole-4-carboxamide

Base Information

• Chemical Name: 5-Amino-1-(4-methylphenyl)-1H-imidazole-4-carboxamide
• CAS No.: 93270-67-8
• Molecular Formula: C11H12N4O
• Molecular Weight: 216.242
• DSSTox Substance ID: DTXSID70546127
• Nikkaji Number: J1.193.882E
• Wikidata: Q82423849

Synonyms:93270-67-8;5-Amino-1-(4-methylphenyl)-1H-imidazole-4-carboxamide;5-Amino-1-(p-tolyl)-1H-imidazole-4-carboxamide;SCHEMBL12391453;5-AMINO-1-(4-METHYLPHENYL)IMIDAZOLE-4-CARBOXAMIDE;DTXSID70546127

Chemical Property of 5-Amino-1-(4-methylphenyl)-1H-imidazole-4-carboxamide

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.10111102
• Heavy Atom Count: 16
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C=NC(=C2N)C(=O)N

Technology Process of 5-Amino-1-(4-methylphenyl)-1H-imidazole-4-carboxamide

There total 3 articles about 5-Amino-1-(4-methylphenyl)-1H-imidazole-4-carboxamide 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: 42.0%

2-cyano-2-oximinoacetamide (3849-20-5) + p-toluidine (106-49-0,12221-03-3) + orthoformic acid triethyl ester (122-51-0) → 1-(p-tolyl)-5-aminoimidazole-4-carboxamide (93270-67-8)

Guidance literature:

With aluminium; mercury dichloride; In water; acetonitrile; Heating;

Reference yield: 7.0%

4-[imino(morpholin-4-yl)methyl]-1-(p-tolyl)-1H-imidazol-5-amine (1187665-68-4) → 1-(p-tolyl)-5-aminoimidazole-4-carboxamide (93270-67-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; 3,4-dihydroxybenzaldehyde; In ethanol; at 20 ℃; for 408h;

DOI:10.1016/j.tet.2009.06.065

Reference yield: 5.0%

4-[imino(piperidin-1-yl)methyl]-1-(p-tolyl)-1H-imidazol-5-amine → 1-(p-tolyl)-5-aminoimidazole-4-carboxamide (93270-67-8)

Guidance literature:

With triethylamine; 3,4-dihydroxybenzaldehyde; In ethanol; acetonitrile; at 8 ℃; for 600h;

DOI:10.1016/j.tet.2009.06.065

upstream raw materials:

2-cyano-2-oximinoacetamide

p-toluidine

orthoformic acid triethyl ester

4-[imino(morpholin-4-yl)methyl]-1-(p-tolyl)-1H-imidazol-5-amine

Downstream raw materials:

9-(p-tolyl)hypoxanthine

Cr(H₃CC₆H₄N₂C₃H(C(O)NH₂)(NH₂))2Cl₂⁽¹⁺⁾*Cl^(1-)*H₂O=[Cr(H₃CC₆H₄N₂C₃H(C(O)NH₂)(NH₂))2Cl₂]Cl*H₂O

6-chloro-9-(4-methylphenyl)-9H-purine

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