1-Amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

Base Information

• Chemical Name: 1-Amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
• CAS No.: 150651-39-1
• Molecular Formula: C₂₀H₁₃N₅
• Molecular Weight: 323.357
• European Community (EC) Number: 851-482-1
• ChEMBL ID: CHEMBL1490169
• Mol file: 150651-39-1.mol

Synonyms:iFSP1;150651-39-1;1-Amino-3-p-tolyl-benzo[4,5]imidazo[1,2-a]pyridine-2,4-dicarbonitrile;1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile;MLS000578038;SMR000187223;iFSP 1;iFSP-1;Oprea1_094186;cid_699043;CHEMBL1490169;SCHEMBL16941529;BDBM54217;CHEBI:176501;HMS2306H22;EX-A4300;s9663;STK759754;AKOS000122129;AC-36527;BS-45796;HY-136057;CS-0119295;EU-0085305;EN300-02854;E73442;AB00097494-01;AG-205/37224011;SR-01000523391;SR-01000523391-1;Z55430237;1-amino-3-(p-tolyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile;1-Amino-3-(4-methylphenyl)-pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile;1-amino-3-(p-tolyl)benzo[4,5]imidazo[1,2-a]pyridine-2,4-dicarbonitrile;1-azanyl-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile;1-AMINO-2-CYANO-3-(4-METHYLPHENYL)PYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE;13-amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaene-10,12-dicarbonitrile

Chemical Property of 1-Amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

Chemical Property:

• PKA: 2.90±0.50(Predicted)
• Density: 1.31±0.1 g/cm3(Predicted)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 323.11709544
• Heavy Atom Count: 25
• Complexity: 592

Purity/Quality:

99%+, ^*data from raw suppliers

iFSP1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)N)C#N

Technology Process of 1-Amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

There total 5 articles about 1-Amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile 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: 94.0%

1H-benzimidazol-2-acetonitrile (4414-88-4) + 2-(4-methylbenzylidene)malononitrile (2826-25-7) → iFSP1 (150651-39-1)

Guidance literature:

With piperidine; In acetonitrile; for 4h; Heating;

DOI:10.1002/prac.19933350311

Reference yield: 46.0%

1H-benzimidazol-2-acetonitrile (4414-88-4) + 2-(4-methylbenzylidene)malononitrile (2826-25-7) → 2-(p-tolyl)-1H-benzimidazole (120-03-6) + iFSP1 (150651-39-1)

Guidance literature:

With piperidine; In ethanol; Heating;

DOI:10.1002/prac.19933350311

Reference yield: 17.0%

(E)-2-(1H-Benzoimidazol-2-yl)-3-p-tolyl-acrylonitrile (343362-46-9) + malononitrile (109-77-3) → iFSP1 (150651-39-1)

Guidance literature:

With piperidine; In acetonitrile; for 3h; Heating;

DOI:10.1002/prac.19933350311

upstream raw materials:

1H-benzimidazol-2-acetonitrile

2-(4-methylbenzylidene)malononitrile

(E)-2-(1H-Benzoimidazol-2-yl)-3-p-tolyl-acrylonitrile

malononitrile

Downstream raw materials:

N-(2,4-dicyano-3-p-tolyl-benzo[4,5]imidazo[1,2-a]pyridin-1-yl)-formimidic acid ethyl ester

C₂₂H₁₃N₇O

3-amino-4-imino-5-p-tolyl-3,4-dihydro-1,3,7,11b-tetraaza-benzo[c]fluorene-6-carbonitrile

N'-(2,4-dicyano-3-p-tolyl-benzo[4,5]imidazo[1,2-a]pyridin-1-yl)-N,N-dimethyl-formamidine

Refernces