ethyl 4,7-diphenyl-3H-imidazo[4,5-c]pyridine-6-carboxylate

Base Information

• Chemical Name: ethyl 4,7-diphenyl-3H-imidazo[4,5-c]pyridine-6-carboxylate
• CAS No.: 85731-50-6
• Molecular Formula: C21H17N3O2
• Molecular Weight: 343.385
• DSSTox Substance ID: DTXSID70517493
• Wikidata: Q82379563
• Mol file: 85731-50-6.mol

Synonyms:85731-50-6;ethyl 4,7-diphenyl-3H-imidazo[4,5-c]pyridine-6-carboxylate;SCHEMBL13505128;DTXSID70517493

Chemical Property of ethyl 4,7-diphenyl-3H-imidazo[4,5-c]pyridine-6-carboxylate

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 343.132076794
• Heavy Atom Count: 26
• Complexity: 474

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC(=C2C(=C1C3=CC=CC=C3)N=CN2)C4=CC=CC=C4

Technology Process of ethyl 4,7-diphenyl-3H-imidazo[4,5-c]pyridine-6-carboxylate

There total 5 articles about ethyl 4,7-diphenyl-3H-imidazo[4,5-c]pyridine-6-carboxylate 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: 90.0%

formic acid (64-18-6) + 3,4-diamino-2,5-diphenyl-6-hydroxymethyl pyridine (85731-33-5) → ethyl 4,7-diphenylimidazolo<4,5-c>pyridine-6-carboxylate (85731-50-6)

Guidance literature:

In neat (no solvent); for 24h; Heating;

Reference yield:

ethyl 4,5-dihydro-4,7-diphenyl-1,2,5-oxadiazolo<3,4-c>pyridine-6-carboxylate (85731-34-6) → ethyl 4,7-diphenylimidazolo<4,5-c>pyridine-6-carboxylate (85731-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 15 percent / NaBH₄ / ethanol / 0.17 h / Heating

2: 90 percent / neat (no solvent) / 24 h / Heating

With sodium tetrahydroborate; In ethanol;

Reference yield:

ethyl 4,7-diphenyl-1,2,5-thiadiazolo<3,4-c>pyridine-6-carboxylate (72624-44-3) → ethyl 4,7-diphenylimidazolo<4,5-c>pyridine-6-carboxylate (85731-50-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 22 percent / LiAlH₄ / tetrahydrofuran / 1 h / Ambient temperature

2: 30 percent / NaBH₄ / ethanol / 2 h / Heating

3: 90 percent / neat (no solvent) / 24 h / Heating

With sodium tetrahydroborate; lithium aluminium tetrahydride; In tetrahydrofuran; ethanol;

upstream raw materials:

formic acid

3,4-diamino-2,5-diphenyl-6-hydroxymethyl pyridine

4,7-diphenyl-6-hydroxymethyl-1,2,5-thiadiazolo<3,4-c>pyridine

ethyl 4,7-diphenyl-1,2,5-thiadiazolo<3,4-c>pyridine-6-carboxylate

Downstream raw materials:

C₁₉H₁₃N₃O₂