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

Base Information

Chemical Name:1H-Benzimidazole-4-carboxylic acid, 1-methyl-2-(2-nitrophenyl)-
CAS No.:560086-19-3
Molecular Formula:C15H11N3O4
Molecular Weight:297.27
Hs Code.:
DSSTox Substance ID:DTXSID30466655
Nikkaji Number:J1.995.404H
Wikidata:Q82293259

Synonyms:1H-Benzimidazole-4-carboxylic acid, 1-methyl-2-(2-nitrophenyl)-;560086-19-3;SCHEMBL7259190;DTXSID30466655

Suppliers and Price of 1H-Benzimidazole-4-carboxylic acid, 1-methyl-2-(2-nitrophenyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:297.07495584
Heavy Atom Count:22
Complexity:453

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CC=CC(=C2N=C1C3=CC=CC=C3[N+](=O)[O-])C(=O)O

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

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

: 560086-16-0
ethyl 1-methyl-2-(2-nitrophenyl)-1H-benzimidazole-4-carboxylate

: 560086-19-3
1-methyl-2-(2-nitrophenyl)-1H-benzimidazole-4-carboxylic acid

Guidance literature:: With sodium hydroxide; In methanol; for 0.416667h; Heating;
DOI:10.1021/ja030196d

Reference yield:

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

: 560086-19-3
1-methyl-2-(2-nitrophenyl)-1H-benzimidazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 4 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

3.1: NaH / tetrahydrofuran / 0 - 20 °C

3.2: 92 percent / tetrahydrofuran / 13 h / 20 °C

4.1: 93 percent / NaOH / methanol / 0.42 h / Heating

With sodium hydroxide; oxalyl dichloride; sodium hydride; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/ja030196d

Reference yield:

: 610-14-0
2-nitrobenzyl chloride

: 560086-19-3
1-methyl-2-(2-nitrophenyl)-1H-benzimidazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: Et₃N / CH₂Cl₂ / 4 h / 0 - 20 °C

1.2: 93 percent / AcONa / acetic acid / 15 h / Heating

2.1: NaH / tetrahydrofuran / 0 - 20 °C

2.2: 92 percent / tetrahydrofuran / 13 h / 20 °C

3.1: 93 percent / NaOH / methanol / 0.42 h / Heating

With sodium hydroxide; sodium hydride; triethylamine; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/ja030196d