2-Ethoxy-1-[[2'-[1-(trityl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-4-carboxylic Acid Methyl Ester (Candesartan Impurity)

Base Information

• Chemical Name: 2-Ethoxy-1-[[2'-[1-(trityl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-4-carboxylic Acid Methyl Ester (Candesartan Impurity)
• CAS No.: 150058-29-0
• Molecular Formula: C44H36N6O3
• Molecular Weight: 696.79504
• DSSTox Substance ID: DTXSID00576396
• Wikidata: Q82466063
• Mol file: 150058-29-0.mol

Synonyms:150058-29-0;2-Ethoxy-1-[[2'-[1-(trityl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-4-carboxylic Acid Methyl Ester (Candesartan Impurity);methyl 2-ethoxy-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;CID 15654710;1H-Benzimidazole-4-carboxylic acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, methyl ester;DTXSID00576396;AMY22052;2-Ethoxy-1-[[2'-[1-(trityl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-4-carboxylic Acid methyl Ester;2-Ethoxy-1-[[2/'-[1-(trityl)-1H-tetrazol-5-yl][1,1/'-biphenyl]-4-yl]methyl]-1H-benzimidazole-4-carbo;Methyl 2-ethoxy-1-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-4-carboxylate

Chemical Property of 2-Ethoxy-1-[[2'-[1-(trityl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-4-carboxylic Acid Methyl Ester (Candesartan Impurity)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 875.638°C at 760 mmHg
• Flash Point: 483.368°C
• PSA: 96.95000
• Density: 1.233g/cm³
• LogP: 8.43060
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 696.28488903
• Heavy Atom Count: 53
• Complexity: 1100

Purity/Quality:

98% ^*data from raw suppliers

Methyl2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-4-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OC
• Uses: A byproduct formed during the synthesis of Candesartan

Technology Process of 2-Ethoxy-1-[[2'-[1-(trityl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-4-carboxylic Acid Methyl Ester (Candesartan Impurity)

There total 2 articles about 2-Ethoxy-1-[[2'-[1-(trityl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-4-carboxylic Acid Methyl Ester (Candesartan Impurity) 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:

2,3-diaminobenzoic acid methyl ester (107582-20-7) → methyl 2-ethoxy-1-<<2'-biphenyl-4-yl>methyl>-1H-benzimidazole-4-carboxylate (150058-29-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 36 percent / acetic acid / 4 h / 90 - 100 °C

2: 1.) NaH / 1.) DMF, 0 deg C, 15 min, 2.) DMF, RT, 3 h

With sodium hydride; acetic acid;

DOI:10.1021/jm00067a016

Reference yield:

N-(triephenylmethyl)-5-<4'-(bromomethyl)-biphenyl-2-yl>tetrazole (124750-51-2) + 2-ethoxyl-1H-benzimidazole-4-carboxylic acid methyl ester (150058-27-8) → methyl 2-ethoxy-1-<<2'-biphenyl-4-yl>methyl>-1H-benzimidazole-7-carboxylate + methyl 2-ethoxy-1-<<2'-biphenyl-4-yl>methyl>-1H-benzimidazole-4-carboxylate (150058-29-0)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction. Yields of byproduct given; 1.) DMF, 0 deg C, 15 min, 2.) DMF, RT, 3 h;

DOI:10.1021/jm00067a016

Reference yield: 67.0%

methyl 2-ethoxy-1-<<2'-biphenyl-4-yl>methyl>-1H-benzimidazole-4-carboxylate (150058-29-0) → methyl 2-ethoxy-1-<<2'-(1H-tetrazol-5-yl)biphenyl-4-yl>methyl>-1H-benzimidazole-4-carboxylate (150058-33-6)

Guidance literature:

With hydrogenchloride; In methanol; chloroform; at 0 - 5 ℃; for 4h;

DOI:10.1021/jm00067a016

upstream raw materials:

N-(triephenylmethyl)-5-<4'-(bromomethyl)-biphenyl-2-yl>tetrazole

2-ethoxyl-1H-benzimidazole-4-carboxylic acid methyl ester

2,3-diaminobenzoic acid methyl ester

Downstream raw materials:

methyl 2-ethoxy-1-<<2'-(1H-tetrazol-5-yl)biphenyl-4-yl>methyl>-1H-benzimidazole-4-carboxylate

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