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

Base Information

• Chemical Name: 2-(3-nitrophenyl)-1H-imidazole
• CAS No.: 13682-18-3
• Molecular Formula: C9H7N3O2
• Molecular Weight: 189.173
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID10356267
• Nikkaji Number: J2.530.746A
• Wikidata: Q82135520
• ChEMBL ID: CHEMBL539952
• Mol file: 13682-18-3.mol

Synonyms:13682-18-3;2-(3-nitrophenyl)-1H-imidazole;2-(3-Nitro-phenyl)-1H-imidazole;2-(3-nitrophenyl)imidazole;2-(3-NITROPHENYL)-IMIDAZOLE;1H-Imidazole, 2-(3-nitrophenyl)-;MFCD05863370;2-{3-nitrophenyl}-1H-imidazole;(3-BROMO-PYRIDIN-4-YL)-HYDRAZINE;1H-Imidazole,2-(3-nitrophenyl)-;2-(3nitrophenyl)imidazole;CHEMBL539952;SCHEMBL1655585;DTXSID10356267;ZPWKGNWCVRBHJB-UHFFFAOYSA-N;STL301950;AKOS010011660;AC-9328;MB03622;NCGC00374413-01;AS-32011;SY012459;CS-0156980;FT-0602625;EN300-45160;A807146;AQ-776/42801171;J-006917

Chemical Property of 2-(3-nitrophenyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 3.23E-07mmHg at 25°C
• Melting Point: 173-174 °C
• Refractive Index: 1.642
• Boiling Point: 430.544 °C at 760 mmHg
• PKA: 12.24±0.12(Predicted)
• Flash Point: 214.185 °C
• PSA: 74.50000
• Density: 1.37g/cm³
• LogP: 2.50810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.053826475
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

2-(3-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(=C1)[N+](=O)[O-])C2=NC=CN2

Technology Process of 2-(3-nitrophenyl)-1H-imidazole

There total 16 articles about 2-(3-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: 72.0%

Glyoxal (131543-46-9,107-22-2) + 3-nitro-benzaldehyde (99-61-6) → 2‐(3‐nitrophenyl)‐1H‐imidazole (13682-18-3)

Guidance literature:

With ammonium acetate; lipase; In water; at 45 ℃; for 4h; Enzymatic reaction;

DOI:10.1080/10286020.2020.1760852

Reference yield: 70.0%

3-nitrobenzonitrile (619-24-9) + 2,2-dimethoxyethylamine (22483-09-6) → 2‐(3‐nitrophenyl)‐1H‐imidazole (13682-18-3)

Guidance literature:

3-nitrobenzonitrile; With sodium methylate; In methanol; for 5h;

2,2-dimethoxyethylamine; With acetic acid; In methanol; at 70 ℃; for 1h;

With hydrogenchloride; In methanol; water; at 70 ℃; for 3h;

Reference yield: 53.13%

1H-imidazole (288-32-4) + 3-nitro-aniline (99-09-2) → 2‐(3‐nitrophenyl)‐1H‐imidazole (13682-18-3)

Guidance literature:

3-nitro-aniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 10 ℃;

1H-imidazole; With sodium acetate; at 5 - 20 ℃;

DOI:10.1016/j.ejmech.2008.08.010

upstream raw materials:

2-(3-nitro-phenyl)-1⁽³⁾H-imidazole-4-carboxylic acid

2-(3-nitro-phenyl)-1H-imidazole-4,5-dicarboxylic acid

nitrobenzene

2-Diazo-2H-imidazole

Downstream raw materials:

C₁₆H₁₀N₄O₅

C₁₆H₁₀BrN₃O₃

2-(methylthio)-4-(2-(3-nitrophenyl)-1H-imidazol-1-yl)pyrimidine

C₁₅H₁₀N₄O₃