2-(3-Nitrophenyl)-1H-imidazole-4-carboxylic acid

Base Information

• Chemical Name: 2-(3-Nitrophenyl)-1H-imidazole-4-carboxylic acid
• CAS No.: 601494-32-0
• Molecular Formula: C10H7N3O4
• Molecular Weight: 233.183
• European Community (EC) Number: 874-507-8
• Mol file: 601494-32-0.mol

Synonyms:2-(3-NITROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID;601494-32-0;2-(3-nitrophenyl)-1H-imidazole-5-carboxylic acid;BZA49432;AKOS011535475;CS-0233002;EN300-129985;2-(3-NITROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLICACID;Z969202216

Chemical Property of 2-(3-Nitrophenyl)-1H-imidazole-4-carboxylic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 233.04365571
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=C(N2)C(=O)O

Technology Process of 2-(3-Nitrophenyl)-1H-imidazole-4-carboxylic acid

There total 3 articles about 2-(3-Nitrophenyl)-1H-imidazole-4-carboxylic acid 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: 79.0%

2-(3-nitrophenyl)-4-trifluoromethyl-1H-imidazole (601494-31-9) → 2-(3-nitrophenyl)-1H-imidazole-4-carboxylic acid (601494-32-0)

Guidance literature:

In sodium hydroxide; for 4h;

DOI:10.1021/ja034563x

Reference yield:

3-nitro-benzaldehyde (99-61-6) → 2-(3-nitrophenyl)-1H-imidazole-4-carboxylic acid (601494-32-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate / water / 0.5 h / 90 °C

2: sodium hydroxide; water; ethanol / 2 h / 90 °C

With ethanol; water; sodium acetate; sodium hydroxide; In water;

DOI:10.1016/j.bioorg.2022.105619

Reference yield:

→ 2-(3-nitro-phenyl)-1(3)H-imidazole-4-carboxylic acid (601494-32-0)

Guidance literature:

/BRN= 23577/;

upstream raw materials:

2-(3-nitrophenyl)-4-trifluoromethyl-1H-imidazole

3-nitro-benzaldehyde

Downstream raw materials:

C₅₁H₄₁N₇O₇

1-(4-methoxybenzyl)-2-[3-(2-trimethylsilanylethoxycarbonylamino)phenyl]-1H-imidazole-4-carboxylic acid 4-methoxybenzyl ester

2-(3-aminophenyl)-1-(4-methoxybenzyl)-1H-imidazole-4-carboxylic acid 4-methoxybenzyl ester

1-(4-methoxybenzyl)-2-(3-nitrophenyl)-1H-imidazole-4-carboxylic acid 4-methoxybenzyl ester