1H-Benzimidazole-4-carboxylic acid, 2-(2-nitrophenyl)-, ethyl ester

Base Information

Chemical Name:1H-Benzimidazole-4-carboxylic acid, 2-(2-nitrophenyl)-, ethyl ester
CAS No.:560086-13-7
Molecular Formula:C16H13N3O4
Molecular Weight:311.297
Hs Code.:
DSSTox Substance ID:DTXSID60477431
Nikkaji Number:J1.995.398J
Wikidata:Q82310011

Synonyms:1H-Benzimidazole-4-carboxylic acid, 2-(2-nitrophenyl)-, ethyl ester;560086-13-7;SCHEMBL7259082;DTXSID60477431

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Chemical Property of 1H-Benzimidazole-4-carboxylic acid, 2-(2-nitrophenyl)-, ethyl ester

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:311.09060590
Heavy Atom Count:23
Complexity:453

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3[N+](=O)[O-]

Technology Process of 1H-Benzimidazole-4-carboxylic acid, 2-(2-nitrophenyl)-, ethyl ester

There total 2 articles about 1H-Benzimidazole-4-carboxylic acid, 2-(2-nitrophenyl)-, 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: 93.0%

: 37466-88-9
2,3-Diaminobenzoic acid,ethyl ester

: 610-14-0
2-nitrobenzyl chloride

: 560086-13-7
ethyl 2-(2-nitrophenyl)-1H-benzimidazole-4-carboxylate

Guidance literature:: 2,3-Diaminobenzoic acid,ethyl ester; 2-nitrobenzyl chloride; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 4h;

With sodium acetate; In acetic acid; for 15h; Heating;
DOI:10.1021/ja030196d

Reference yield:

: 552-16-9,104810-18-6
ortho-nitrobenzoic acid

: 560086-13-7
ethyl 2-(2-nitrophenyl)-1H-benzimidazole-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: oxalyl chloride; DMF / CH₂Cl₂ / 12 h / 20 °C

2.1: Et₃N / CH₂Cl₂ / 4 h / 0 - 20 °C

2.2: 93 percent / AcONa / acetic acid / 15 h / Heating

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/ja030196d

Reference yield: 93.0%

: 560086-13-7
ethyl 2-(2-nitrophenyl)-1H-benzimidazole-4-carboxylate

: 560086-34-2
1,10-bis(3-bromomethylphenoxy)decane

: 560086-38-6
1,10-bis{3-[4-ethoxycarbonyl-2-(2-nitrophenyl)benzimidazol-1-ylmethyl]phenoxy}decane

Guidance literature:: ethyl 2-(2-nitrophenyl)-1H-benzimidazole-4-carboxylate; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

1,10-bis(3-bromomethylphenoxy)decane; In tetrahydrofuran; at 20 ℃; for 20h;
DOI:10.1021/ja030196d