Ethyl 1H-benzo[d]imidazole-7-carboxylate

Base Information

• Chemical Name: Ethyl 1H-benzo[d]imidazole-7-carboxylate
• CAS No.: 167487-83-4
• Molecular Formula: C₁₀H₁₀N₂O₂
• Molecular Weight: 190.202
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID30525099
• Wikidata: Q72472813
• Mol file: 167487-83-4.mol

Synonyms:167487-83-4;Ethyl 1H-benzo[d]imidazole-7-carboxylate;Ethyl 4-Benzimidazolecarboxylate;ETHYL 3H-BENZO[D]IMIDAZOLE-4-CARBOXYLATE;ethyl 1H-benzimidazole-4-carboxylate;ethyl 1H-benzo[d]imidazole-4-carboxylate;1H-Benzimidazole-7-carboxylic acid, ethyl ester;1H-Benzimidazole-4-carboxylicacid,ethylester(9CI);1h-benzimidazole-4-carboxylic acid ethyl ester;1H-Benzimidazole-4-carboxylic acid, ethyl ester;SCHEMBL534252;DTXSID30525099;BIROFVBTDWNLKU-UHFFFAOYSA-N;MFCD18251681;MFCD20692524;RB3110;AKOS015998736;AKOS028109852;AM62683;Ethyl1H-benzo[d]imidazole-7-carboxylate;DS-18214;SY022484;CS-0042869;A882238

Chemical Property of Ethyl 1H-benzo[d]imidazole-7-carboxylate

Chemical Property:

• Boiling Point: 417.554 °C at 760 mmHg
• PKA: 10.82±0.30(Predicted)
• Flash Point: 206.33 °C
• PSA: 54.98000
• Density: 1.272 g/cm³
• LogP: 1.73960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 3H-benzo[d]imidazole-4-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2C(=CC=C1)NC=N2

Technology Process of Ethyl 1H-benzo[d]imidazole-7-carboxylate

There total 3 articles about Ethyl 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: 95.0%

2-Amino-3-nitrobenzoic acid,ethyl ester (61063-11-4) + orthoformic acid triethyl ester (122-51-0) → 1H-benzoimidazole-7-carboxylic acid ethyl ester (167487-83-4)

Guidance literature:

With 10% Pd/C; hydrogen; acetic acid; In methanol; at 20 ℃; under 760.051 Torr;

DOI:10.3987/COM-08-11384

Reference yield: 61.0%

ethanol (64-17-5) + benzimidazole-4-carboxylic acid (46006-36-4) → ethyl 1H-1,3-benzodiazole-4-carboxylate (167487-83-4)

Guidance literature:

ethanol; benzimidazole-4-carboxylic acid; With hydrogenchloride; In ethanol; for 15h; Heating / reflux;

With potassium carbonate; In water;

Reference yield: 52.0%

ethyl 2-[(N-tert-butoxycarbonyl)amino]-3-nitrobenzoate (136285-65-9) + orthoformic acid triethyl ester (122-51-0) → 1H-benzoimidazole-7-carboxylic acid ethyl ester (167487-83-4)

Guidance literature:

With 10% Pd/C; hydrogen; acetic acid; In methanol; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.3987/COM-08-11384

upstream raw materials:

ethanol

benzimidazole-4-carboxylic acid

ethyl 2-[(N-tert-butoxycarbonyl)amino]-3-nitrobenzoate

orthoformic acid triethyl ester

Downstream raw materials:

(1H-benzo[d]imidazol-4-yl)methanol

Refernces

• 1、 -. "Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions". Page/Page column 16. . Retrieved 2010/11/27.