1-benzyl-1H-imidazo[4,5-b]pyridine

Base Information

• Chemical Name: 1-benzyl-1H-imidazo[4,5-b]pyridine
• CAS No.: 105942-43-6
• Molecular Formula: C13H11N3
• Molecular Weight: 209.25
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50437509
• Nikkaji Number: J652.412E
• Wikidata: Q82253016
• ChEMBL ID: CHEMBL4096768
• Mol file: 105942-43-6.mol

Synonyms:1-benzyl-1H-imidazo[4,5-b]pyridine;105942-43-6;1-benzylimidazo[4,5-b]pyridine;CHEMBL4096768;DTXSID50437509;AKOS015905568;EXG

Chemical Property of 1-benzyl-1H-imidazo[4,5-b]pyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 402.653oC at 760 mmHg
• PKA: 5.24±0.30(Predicted)
• Flash Point: 197.318oC
• PSA: 30.71000
• Density: 1.185g/cm3
• LogP: 2.47960
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.095297364
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

≥99% ^*data from raw suppliers

1-Benzyl-1H-imidazo[4,5-b]pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NC3=C2C=CC=N3

Technology Process of 1-benzyl-1H-imidazo[4,5-b]pyridine

There total 15 articles about 1-benzyl-1H-imidazo[4,5-b]pyridine 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: 91.0%

2-amino-3-<(phenylmethyl)amino>pyridine (79707-12-3) + orthoformic acid triethyl ester (122-51-0) → 1-(Phenylmethyl)-1H-imidazo<4,5-b>pyridine (105942-43-6)

Guidance literature:

With toluene-4-sulfonic acid; In N,N-dimethyl acetamide; at 90 - 95 ℃; for 18h;

DOI:10.1021/jo00109a029

Reference yield: 90.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + N-benzyl-N-(2-chloro-3-pyridinyl)amine (142670-87-9) → 1-(Phenylmethyl)-1H-imidazo<4,5-b>pyridine (105942-43-6)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; potassium phosphate; t-BuBrettPhos; In tert-butyl alcohol; at 110 ℃; for 4h; Inert atmosphere;

DOI:10.1021/ol300359s

Reference yield: 84.0%

N-<<3-(Phenylmethylene)amino>-2-pyridinyl>formamide → 1-(Phenylmethyl)-1H-imidazo<4,5-b>pyridine (105942-43-6)

Guidance literature:

With borane pyridine; In dichloromethane; acetic acid; for 3h;

DOI:10.1021/jo00109a029

upstream raw materials:

4-(Phenylmethyl)-4H-imidazo<4,5-b>pyridine

1H-Imidazo[4,5-b]pyridine

benzyl bromide

benzaldehyde

Downstream raw materials:

1-benzyl-2-iodo-4-azabenzimidazole

2,2'-bis(1-benzyl-2-iodo-4-azabenzimidazole)

1-benzyl-3-(2-oxopropyl)-4-azabenzimidazolium chloride

(E)-N-(2-{[5-amino-2,2-dimethyl-3(2H)-furanyliden]amino}-3-pyridinyl)-N-benzylformamide