4-(4-Nitrophenyl)-1H-imidazole

Base Information

• Chemical Name: 4-(4-Nitrophenyl)-1H-imidazole
• CAS No.: 38980-93-7
• Molecular Formula: C9H7N3O2
• Molecular Weight: 189.173
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID70358702
• Nikkaji Number: J271.229F
• Wikidata: Q82139475
• ChEMBL ID: CHEMBL1460009
• Mol file: 38980-93-7.mol

Synonyms:4-(4-Nitrophenyl)-1H-imidazole;38980-93-7;5-(4-nitrophenyl)-1H-imidazole;4-(4-Nitro-phenyl)-1H-imidazole;EC-000.1684;4-(4-nitrophenyl)imidazole;Oprea1_661954;MLS000779641;4-(4'-Nitrophenyl)imidazole;4-(4-nitro-phenyl)-imidazole;SCHEMBL1876057;CHEMBL1460009;SCHEMBL18799040;DTXSID70358702;4-(4-nitro-phenyl)1H-imidazole;HMS2799A23;1H-Imidazole, 4-(4-nitrophenyl)-;STL295932;AKOS000446798;AKOS006240812;SMR000419824;CS-0214725;FT-0654796;EN300-18831;Y11323;A824359;Z90663564

Chemical Property of 4-(4-Nitrophenyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 1.34E-08mmHg at 25°C
• Refractive Index: 1.642
• Boiling Point: 471.2 °C at 760 mmHg
• Flash Point: 238.8 °C
• PSA: 74.50000
• Density: 1.369g/cm³
• LogP: 2.50810
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.053826475
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

5-(4-nitrophenyl)-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CN=CN2)[N+](=O)[O-]

Technology Process of 4-(4-Nitrophenyl)-1H-imidazole

There total 18 articles about 4-(4-Nitrophenyl)-1H-imidazole 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: 64.0%

2-Phenylimidazole (670-96-2) → 4-(4-nitrophenyl)-1H-imidazole (38980-93-7)

Guidance literature:

With ammonium nitrate; sulfuric acid; at 0 ℃; for 1h;

Reference yield: 62.0%

ethanol (64-17-5) + N-tosyl-4-nitrobenzaldimine (13707-46-5) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → 1-methyl-4-(4-nitrophenyl)-1H-imidazole (103298-41-5) + 5-(4-nitrophenyl)-1H-imidazole (38980-93-7)

Guidance literature:

With potassium carbonate; In 1,2-dimethoxyethane; for 2h; Heating;

DOI:10.1016/S0040-4020(97)00717-5

Reference yield: 60.0%

4-Nitrophenacyl bromide (99-81-0) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-(4-nitrophenyl)-1H-imidazole (38980-93-7)

Guidance literature:

at 150 ℃; for 72h; Product distribution / selectivity;

upstream raw materials:

4-(4-nitro-phenyl)-1,3-dihydro-imidazole-2-thione

ethanol

4-Phenylimidazole

hydrogenchloride

Downstream raw materials:

1-methyl-4-(4-nitrophenyl)-1H-imidazole

1-methyl-5-(4-nitrophenyl)-1H-imidazole

VUF 5801

4-(1⁽³⁾H-imidazol-4-yl)-aniline

Refernces

• 1、 -. "HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES". Paragraph 000316; 000532. . Retrieved 2016/05/02.
• 2、 -. "TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE". Page/Page column 90. . Retrieved 2011/06/11.