4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)benzonitrile

Base Information

• Chemical Name: 4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
• CAS No.: 122957-32-8
• Molecular Formula: C14H10N4
• Molecular Weight: 234.26
• DSSTox Substance ID: DTXSID10443449
• Wikidata: Q82261279
• Mol file: 122957-32-8.mol

Synonyms:122957-32-8;4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)benzonitrile;Benzonitrile, 4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-;4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzonitrile;SCHEMBL7491666;DTXSID10443449;FLZZNCMRFDMVDR-UHFFFAOYSA-N;1-(4-cyanophenyl)-2-methylimidazo[4,5-c]-pyridine;1-(4-cyanophenyl)-2-methylimidazo[4,5-c]pyridine;4-(2-methylimidazo[4,5-c]pyrid-1-yl)benzonitrile

Chemical Property of 4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)benzonitrile

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 234.090546336
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(N1C3=CC=C(C=C3)C#N)C=CN=C2

Technology Process of 4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)benzonitrile

There total 11 articles about 4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)benzonitrile 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%

acetic anhydride (108-24-7) + 3-amino-4-[N-(4-cyanophenyl)amino]pyridine (122957-34-0) → 4-(2-methylimidazo[4,5-c]pyrid-1-yl)benzonitrile (122957-32-8)

Guidance literature:

In acetic acid; at 90 ℃; for 2h;

DOI:10.1021/jm00095a005

Reference yield:

Triethyl orthoacetate (78-39-7) + 3-amino-4-[N-(4-cyanophenyl)amino]pyridine (122957-34-0) → 4-(2-methylimidazo[4,5-c]pyrid-1-yl)benzonitrile (122957-32-8)

Guidance literature:

With acetic anhydride; In hydrogenchloride;

Reference yield:

triethyl-orthoacetate + 3-amino-4-[N-(4-cyanophenyl)amino]pyridine (122957-34-0) → 4-(2-methylimidazo[4,5-c]pyrid-1-yl)benzonitrile (122957-32-8)

Guidance literature:

With acetic anhydride; In hydrogenchloride;

upstream raw materials:

4-fluorobenzonitrile

2-methylimidazo<4,5-c>pyridine 5-oxide

acetic anhydride

3-amino-4-[N-(4-cyanophenyl)amino]pyridine

Downstream raw materials:

ethyl 4'-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoylacetate

4-(1H-2-methylimidazo[4,5-c]pyridin-1-yl)benzoic acid

4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)benzaldehyde

methyl 4-(1H-2-methylimidazo[4,5-c]pyrid-1-yl)benzoate

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