1H-Benzimidazole-1-acetic acid, ethyl ester

Base Information

• Chemical Name: 1H-Benzimidazole-1-acetic acid, ethyl ester
• CAS No.: 55175-50-3
• Molecular Formula: C11H12 N2 O2
• Molecular Weight: 204.228
• DSSTox Substance ID: DTXSID50203680
• Nikkaji Number: J398.547D
• Wikidata: Q83077100
• Mol file: 55175-50-3.mol

Synonyms:Ethyl 1H-benzimidazoleacetate;1H-Benzimidazole-1-acetic acid, ethyl ester;Benzimidazolyl-1 acetate d'ethyle [French];55175-50-3;Benzimidazolyl-1 acetate d'ethyle;ethyl 1H-benzimidazol-1-ylacetate;1-(ethoxycarbonylmethyl)benzimidazole;SCHEMBL7404412;DTXSID50203680;ethyl (benzimidazol-1-yl)acetate;STK192086;AKOS003118225;LS-32591;1H-Benzimidazole-1-acetic acid ethyl ester

Chemical Property of 1H-Benzimidazole-1-acetic acid, ethyl ester

Chemical Property:

• Vapor Pressure: 6.64E-05mmHg at 25°C
• Boiling Point: 344.3°C at 760 mmHg
• Flash Point: 162°C
• Density: 1.19g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 204.089877630
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C=NC2=CC=CC=C21

Technology Process of 1H-Benzimidazole-1-acetic acid, ethyl ester

There total 6 articles about 1H-Benzimidazole-1-acetic 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: 95.0%

benzoimidazole (51-17-2,79351-71-6) + ethyl bromoacetate (105-36-2) → 1-(ethoxycarbonylmethyl)benzimidazole (55175-50-3)

Guidance literature:

With potassium carbonate; at 100 ℃; for 0.5h; Microwave irradiation;

DOI:10.1080/00397910903226166

Reference yield: 76.0%

benzoimidazole (51-17-2,79351-71-6) + chloroacetic acid ethyl ester (105-39-5) → 1-(ethoxycarbonylmethyl)benzimidazole (55175-50-3)

Guidance literature:

With sodium hydroxide; In methanol; water; for 0.5h; Reflux;

DOI:10.1016/j.ejmech.2009.04.037

Reference yield: 62.0%

diazoacetic acid ethyl ester (623-73-4) + benzoimidazole (51-17-2,79351-71-6) → 1-(ethoxycarbonylmethyl)benzimidazole (55175-50-3)

Guidance literature:

copper(II) bronze; In xylene; at 90 ℃; for 17h;

DOI:10.1002/ardp.19853180503

upstream raw materials:

benzoimidazole

chloroacetic acid ethyl ester

diazoacetic acid ethyl ester

ethyl bromoacetate

Downstream raw materials:

2-(benzimidazol-1-yl)acetamide

2-(1H-benzo[d]imidazol-1-yl)acetic acid

benzimidazol-1-yl-acetic acid methylamide

Benzoimidazol-1-yl-acetyl chloride