4-(3-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine

Base Information

• Chemical Name: 4-(3-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
• CAS No.: 326021-88-9
• Molecular Formula: C₁₆H₁₅N₅
• Molecular Weight: 277.329
• ChEMBL ID: CHEMBL1414868
• DSSTox Substance ID: DTXSID401322623
• Mol file: 326021-88-9.mol

Synonyms:4-(3-methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine;326021-88-9;MLS000763261;CHEMBL1414868;DTXSID401322623;HMS1807A03;HMS2792I15;CCG-60146;AKOS001024540;AKOS005629328;AKOS016309042;NCGC00102337-01;SMR000439831;SR-01000147595;SR-01000147595-1;Z55176013;4-m-Tolyl-1,4-dihydro-benzo[4,5]imidazo[1,2-a][1,3,5]triazin-2-ylamine;4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine;4-(3-METHYLPHENYL)-1,4-DIHYDRO[1,3,5]TRIAZINO[1,2-A][1,3]BENZIMIDAZOL-2-AMINE

Chemical Property of 4-(3-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 277.13274550
• Heavy Atom Count: 21
• Complexity: 423

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2N=C(NC3=NC4=CC=CC=C4N23)N

Technology Process of 4-(3-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine

There total 1 articles about 4-(3-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine 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: 81.0%

2-guanidinobenzimidazole (5418-95-1) + m-tolyl aldehyde (620-23-5) → 4-(3-methylphenyl)-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazole-2-amine (326021-88-9)

Guidance literature:

With piperidine; In ethanol; Heating;

DOI:10.1002/jhet.5570430614

Reference yield: 70.0%

4-(3-methylphenyl)-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazole-2-amine (326021-88-9) + diethyl 2-ethoxymethylenemalonate (87-13-8) → ethyl 6-(3-methylphenyl)-4-oxo-4,6-dihydro-1(12)(13)H-pyrimido[2',1':4,5][1,3,5]triazino[1,2-a]benzimidazole-3-carboxylate (923954-91-0)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

DOI:10.1002/jhet.5570430614

Reference yield:

4-(3-methylphenyl)-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazole-2-amine (326021-88-9) → ethyl 13-methyl-6-(3-methylphenyl)-4-oxo-6,13-dihydro-4H-pyrimido[2',1':4,5][1,3,5]triazino[1,2-a]benzimidazole-3-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / dimethylformamide / Heating

2: 58 percent / potassium carbonate / dimethylformamide / 24 h / 20 °C

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570430614

upstream raw materials:

2-guanidinobenzimidazole

m-tolyl aldehyde

Downstream raw materials:

ethyl 6-(3-methylphenyl)-4-oxo-4,6-dihydro-1^(12)(13)H-pyrimido[2',1':4,5][1,3,5]triazino[1,2-a]benzimidazole-3-carboxylate