1H-Imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide

Base Information

• Chemical Name: 1H-Imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide
• CAS No.: 436088-53-8
• Molecular Formula: C₁₂H₁₃N₅O₂
• Molecular Weight: 259.268
• DSSTox Substance ID: DTXSID90356982
• Wikidata: Q82136645
• Mol file: 436088-53-8.mol

Synonyms:436088-53-8;1H-Imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide;4-N-(4-aminophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide;1h-imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)amide] 5-methylamide;1H-Imidazole-4,5-dicarboxylic acid, 4-[(4-amino-phenyl)-amide] 5-methylamide;Oprea1_103361;Oprea1_399861;SCHEMBL17148202;DTXSID90356982;CNIFNMYBLJUKQF-UHFFFAOYSA-N;AKOS000301717;FT-0677057;SR-01000314724;SR-01000314724-1;BRD-K92076126-001-01-1;N4-(4-aminophenyl)-N5-methyl-1H-imidazole-4,5-dicarboxamide;1H-Imidazole-4,5-dicarboxylic acid 4-[(4-aminophenyl)amide]5-methylamide;1h-imidazole-4,5-dicarboxylic acid4-[(4-amino-phenyl)-amide]5-methyl amide;1H-Imidazole-4,5-dicarboxylicacid4-[(4-amino-phenyl)-amide]5-methylamide;1 h-imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide

Chemical Property of 1H-Imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide

Chemical Property:

• Vapor Pressure: 9.55E-12mmHg at 25°C
• Boiling Point: 540.4°C at 760 mmHg
• Flash Point: 280.7°C
• PSA: 112.90000
• Density: 1.42g/cm³
• LogP: 1.64890
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 259.10692467
• Heavy Atom Count: 19
• Complexity: 341

Purity/Quality:

98% ^*data from raw suppliers

1H-Imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CNC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)N

Technology Process of 1H-Imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide

There total 3 articles about 1H-Imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide 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:

N;N’-dimethyl-5;10-dioxo-5H;10H-diimidazo[1;5-a:1';5'-d]pyrazine-1;6-dicarboxamide + 1,4-phenylenediamine (106-50-3) → N5-(4-aminophenyl)-N4-methyl-1H-imidazole-4,5-dicarboxamide (436088-53-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 0.5h;

Reference yield:

4H,9H-diimidazo<1,5-a; 1',5'-d>pyrazine-5,10-dione-1,6-dicarboxylic dichloride (59157-06-1) → N5-(4-aminophenyl)-N4-methyl-1H-imidazole-4,5-dicarboxamide (436088-53-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 h / 20 °C

2: triethylamine / tetrahydrofuran / 0.5 h / 20 °C

With triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran;

Reference yield:

4,5-imidazoledicarboxylic acid (570-22-9) → N5-(4-aminophenyl)-N4-methyl-1H-imidazole-4,5-dicarboxamide (436088-53-8)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / toluene; N,N-dimethyl-formamide / 24 h / 80 °C

2: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 h / 20 °C

3: triethylamine / tetrahydrofuran / 0.5 h / 20 °C

With thionyl chloride; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; N,N-dimethyl-formamide; toluene;

upstream raw materials:

1,4-phenylenediamine

4H,9H-diimidazo<1,5-a; 1',5'-d>pyrazine-5,10-dione-1,6-dicarboxylic dichloride

4,5-imidazoledicarboxylic acid

Refernces