1h-Benzimidazole-1-carboxylic acid ethyl ester

Base Information

• Chemical Name: 1h-Benzimidazole-1-carboxylic acid ethyl ester
• CAS No.: 72473-85-9
• Molecular Formula: C10H10 N2 O2
• Molecular Weight: 190.2
• DSSTox Substance ID: DTXSID40440704
• Wikidata: Q82257076
• Mol file: 72473-85-9.mol

Synonyms:72473-85-9;1h-benzimidazole-1-carboxylic acid ethyl ester;ethyl benzimidazole-1-carboxylate;ethyl 1H-benzo[d]imidazole-1-carboxylate;DTXSID40440704;AG-G-85308

Chemical Property of 1h-Benzimidazole-1-carboxylic acid ethyl ester

Chemical Property:

• PSA: 44.12000
• LogP: 2.04090
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1C=NC2=CC=CC=C21

Technology Process of 1h-Benzimidazole-1-carboxylic acid ethyl ester

There total 6 articles about 1h-Benzimidazole-1-carboxylic acid ethyl ester 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: 80.0%

benzoimidazole (51-17-2,79351-71-6) + chloroformic acid ethyl ester (541-41-3) → ethyl 1H-benzimidazole-1-carboxylate (72473-85-9)

Guidance literature:

With triethylamine; In 1,2-dichloro-ethane; for 6h; Ambient temperature;

DOI:10.1080/00397919808007016

Reference yield: 78.0%

benzoimidazole (51-17-2,79351-71-6) + diethylazodicarboxylate (1972-28-7,218603-74-8) → ethyl 1H-benzimidazole-1-carboxylate (72473-85-9)

Guidance literature:

With copper diacetate; at 80 ℃; for 1h; Inert atmosphere;

DOI:10.1039/C6RA22108D

Reference yield: 57.0%

N-[(2-methoxycarbonylbenzene)sulfenyl]benzimidazole (658702-70-6) + ethyl 2-cyanoacetate (105-56-6) → ethyl 1H-benzimidazole-1-carboxylate (72473-85-9)

Guidance literature:

With triethylamine; In toluene; at 80 ℃; for 7h;

DOI:10.3987/COM-06-10904

upstream raw materials:

benzoimidazole

chloroformic acid ethyl ester

N-[(2-methoxycarbonylbenzene)sulfenyl]benzimidazole

ethyl 2-cyanoacetate

Downstream raw materials:

diethyl 2-(2-((3,4-dimethoxyphenethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate

diethyl 2-(4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohex-1-en-1-yl)-1H-benzo[d]-imidazole-1,3(2H)-dicarboxylate

diethyl 2-(2-(benzylamino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate

diethyl 2-(2-((4-chlorobenzyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1H-benzo[d]-imidazole-1,3(2H)-dicarboxylate

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