6-chloro-2-(pyridin-2-yl)-1H-1,3-benzodiazole

Base Information

• Chemical Name: 6-chloro-2-(pyridin-2-yl)-1H-1,3-benzodiazole
• CAS No.: 63053-15-6
• Molecular Formula: C12H8ClN3
• Molecular Weight: 229.669
• UNII: RK7Y56WLV3
• DSSTox Substance ID: DTXSID20978994
• Nikkaji Number: J1.264.541D
• ChEMBL ID: CHEMBL166127

Synonyms:63053-15-6;6-chloro-2-(pyridin-2-yl)-1H-1,3-benzodiazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;1H-Benzimidazole, 6-chloro-2-(2-pyridinyl)-;RK7Y56WLV3;CHEMBL166127;6-chloro-2-pyridin-2-yl-1H-benzoimidazole;MFCD11226373;6-Chloranyl-2-pyridin-2-yl-1H-benzimidazole;5-chloro-2-(pyridin-2-yl)-1H-benzo[d]imidazole;6-Chloro-2-(pyridin-2-yl)-1H-benzo[d]imidazole;D04MIY;UNII-RK7Y56WLV3;SCHEMBL124391;DTXSID20978994;BDBM50180732;AKOS005256857;AKOS008957084;2-(2-Pyridyl)-5-chloro-1H-benzoimidazole;5-Chloro-2-pyridin-2-yl-1H-benzoimidazole;6-Chloro-2-(pyridin-2-yl)-1H-benzimidazole;US8748618, LD-2-79;5-chloro-2-pyridin-2-yl-1(3)H-benzoimidazole;EN300-125297;Z666468968

Chemical Property of 6-chloro-2-(pyridin-2-yl)-1H-1,3-benzodiazole

Chemical Property:

• Vapor Pressure: 1.39E-08mmHg at 25°C
• Boiling Point: 458.3°Cat760mmHg
• Flash Point: 263.4°C
• Density: 1.387g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 229.0406750
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)Cl

Technology Process of 6-chloro-2-(pyridin-2-yl)-1H-1,3-benzodiazole

There total 5 articles about 6-chloro-2-(pyridin-2-yl)-1H-1,3-benzodiazole 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: 96.0%

pyridine-2-carbaldehyde (1121-60-4) + 4-Chloro-1,2-phenylenediamine (95-83-0) → 5-chloro-2-(pyridin-2-yl)-1H-benzo[d]imidazole (63053-15-6)

Guidance literature:

With polyamine dendrimer with glycerol initiated polyepichlorohydrin; air; In ethanol; at 20 ℃; for 0.0333333h;

DOI:10.1016/j.tet.2019.130676

Reference yield: 85.0%

2-Picolinic acid (98-98-6) + 4-Chloro-1,2-phenylenediamine (95-83-0) → 5-chloro-2-(pyridin-2-yl)-1H-benzo[d]imidazole (63053-15-6)

Guidance literature:

With polyphosphoric acid; at 175 ℃; Inert atmosphere;

DOI:10.1016/j.ica.2015.03.021

Reference yield:

5-Chloro-2-pyridin-2-yl-1-(2-pyridin-4-yl-ethyl)-1H-benzoimidazole (80477-81-2) → 5-chloro-2-(pyridin-2-yl)-1H-benzo[d]imidazole (63053-15-6)

Guidance literature:

With aluminium trichloride; In various solvent(s); at 140 ℃; for 0.5h; Rate constant; dialkylation rate constant;

upstream raw materials:

2-Cyanopyridine

3-chloro-aniline

5-Chloro-2-pyridin-2-yl-1-(2-pyridin-4-yl-ethyl)-1H-benzoimidazole

2-Picolinic acid

Downstream raw materials:

5-Chloro-2-pyridin-2-yl-1-(2-pyridin-2-yl-ethyl)-1H-benzoimidazole

5-Chloro-2-pyridin-2-yl-1-(2-pyridin-4-yl-ethyl)-1H-benzoimidazole

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