Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate

Base Information

• Chemical Name: Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
• CAS No.: 139481-41-7
• Molecular Formula: C26H23N3O3
• Molecular Weight: 425.487
• European Community (EC) Number: 604-136-7
• DSSTox Substance ID: DTXSID80572750
• Wikidata: Q72474782
• Mol file: 139481-41-7.mol

Synonyms:139481-41-7;Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;Ethyl-2-Ethoxy-1-[[(2'-Cyanobiphenyl-4-yl) Methyl] Benzimidazole]-7-Carboxylate;Ethyl 2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate;ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate;ethyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate;Ethyl 1-[(2'-Cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate;Ethyl 2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1H-benzimidazole-7-carboxylate;GYTTUVXCCHRIBA-UHFFFAOYSA-N;C26H23N3O3;Candesartan Intermediates;Ethyl -2-ethoxy-1-[[(2 inverted exclamation marka-cyanobiphenyl-4-yl) methyl] benzimidazole] -7-carboxylate;SCHEMBL848507;DTXSID80572750;BCP07077;MFCD09030636;AKOS015896141;AM84368;DS-0460;3-(2'-Cyano-biphenyl-4-ylmethyl)-2-ethoxy-3H-benzoimidazole-4-carboxylic acid ethyl ester;AC-26326;CS-0151805;4-CHLOROPHENYLPHENYLPHOSPHORAMIDOCHLORIDATE;A807543;Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole7-carboxylate;ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2ethoxybenzimidazole-7-carboxylate;Ethyl 1-[(2'-cyano-4-biphenylyl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate;Ethyl 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate;Ethyl 2-ethoxy-1-[[(2`-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate;Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate;1H-Benzimidazole-7-carboxylic acid,1-((2'-cyano(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-ethylester;1H-Benzimidazole-7-carboxylicacid,1-[(2 inverted exclamation mark -cyano[1,1 inverted exclamation mark -biphenyl]-4-yl)methyl]-2-ethoxy-,ethyl este;Ethyl 1-((2'-cyano-[1 pound not1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;ethyl 1-({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)-2-ethoxy-1H-1,3-benzodiazole-7-carboxylate;ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-benzimidazole-4-carboxylate;Ethyl1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate

Chemical Property of Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate

Chemical Property:

• Boiling Point: 637.542 °C at 760 mmHg
• PKA: 4.20±0.10(Predicted)
• Flash Point: 339.374 °C
• PSA: 77.14000
• Density: 1.19 g/cm³
• LogP: 5.19868
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 425.17394160
• Heavy Atom Count: 32
• Complexity: 669

Purity/Quality:

98% ^*data from raw suppliers

Ethyl 2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC

Technology Process of Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate

There total 7 articles about Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-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: 69.0%

→ ethyl 1-[(2'-cyano-[1,1']-biphenyl-4-yl)methyl]-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (139481-41-7)

Guidance literature:

Reference yield:

orthocarbonic acid tetraethyl ester (78-09-1) + ethyl 3-amino-2-<<(2'-cyanobiphenyl-4-yl)methyl>amino>benzoate (136285-69-3) → ethyl 1-[(2'-cyano-[1,1']-biphenyl-4-yl)methyl]-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (139481-41-7)

Guidance literature:

With acetic acid; at 80 ℃; for 1h;

DOI:10.1080/00397911.2018.1554144

Reference yield:

ethyl 2-[(2'-cyanobiphenyl-4-yl)methyl]amino-3-nitrobenzoate (136285-67-1) → ethyl 1-[(2'-cyano-[1,1']-biphenyl-4-yl)methyl]-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (139481-41-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tin(II) chloride dihdyrate / 2 h / 70 °C

2: acetic acid / 1 h / 80 °C

With tin(II) chloride dihdyrate; acetic acid;

DOI:10.1080/00397911.2018.1554144

upstream raw materials:

ethyl 2-[(2'-cyanobiphenyl-4-yl)methyl]amino-3-nitrobenzoate

orthocarbonic acid tetraethyl ester

ethyl 3-amino-2-<<(2'-cyanobiphenyl-4-yl)methyl>amino>benzoate

ethyl 2-carboxy-3-nitrobenzoate

Downstream raw materials:

ethyl 2-ethoxy-1-((2′-(N′-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate

candesartan

2-Ethoxy-1-[[2'-(N-triphenylmethyltetrazol-5-yl)-biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid

ethyl 2-ethoxy-1-((2'-(N'-((ethoxycarbonyl)oxy)carbamimidoyl)[biphenyl]-4-yl)methyl)-1H-benzoimidazole-7-carboxylate