1-(4-Fluorophenyl)imidazole

Base Information

• Chemical Name: 1-(4-Fluorophenyl)imidazole
• CAS No.: 21441-24-7
• Molecular Formula: C9H7FN2
• Molecular Weight: 162.166
• Hs Code.: 2933290090
• European Community (EC) Number: 670-459-5
• DSSTox Substance ID: DTXSID90175716
• Nikkaji Number: J884.133K
• Wikidata: Q83046039
• ChEMBL ID: CHEMBL14216
• Mol file: 21441-24-7.mol

Synonyms:1-(4-Fluorophenyl)imidazole;21441-24-7;1-(4-Fluorophenyl)-1H-imidazole;1-(4-Fluorophenyl)imidazole,;1H-Imidazole,1-(4-fluorophenyl)-;CHEMBL14216;SCHEMBL255950;DTXSID90175716;1-(4-Fluoro-phenyl)-1H-imidazole;MFCD00060490;1-(4-Fluorophenyl)-1H-imidazole #;AKOS006228224;FS-1040;1-(4-fluorophenyl)imidazole, AldrichCPR;CS-0323998;FT-0654594;EN300-7816839;A815379;J-014071;6AQ

Chemical Property of 1-(4-Fluorophenyl)imidazole

Chemical Property:

• Vapor Pressure: 0.0115mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 270.2 °C at 760 mmHg
• PKA: 5.40±0.10(Predicted)
• Flash Point: 117.2 °C
• PSA: 17.82000
• Density: 1.16g/cm³
• LogP: 2.01140
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.05932639
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C=CN=C2)F

Technology Process of 1-(4-Fluorophenyl)imidazole

There total 15 articles about 1-(4-Fluorophenyl)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: 99.0%

1H-imidazole (288-32-4) + 4-fluoro-1-iodobenzene (352-34-1) → 4-fluorophenyl-1H-imidazole (21441-24-7)

Guidance literature:

With copper(l) iodide; N-((4-nitro-1-oxy-pyridin-2-yl)methyl)oxalamic acid; tetrabutylammomium bromide; potassium hydroxide; In water; at 70 ℃; for 40h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1039/c5ob00045a

Reference yield: 97.0%

1H-imidazole (288-32-4) + 1-Chloro-4-fluorobenzene (352-33-0) → 4-fluorophenyl-1H-imidazole (21441-24-7)

Guidance literature:

With copper(I) oxide; copper; caesium carbonate; In dimethyl sulfoxide; at 150 ℃; for 18h;

Reference yield: 96.0%

1H-imidazole (288-32-4) + 4-fluoroboronic acid (1765-93-1) → 4-fluorophenyl-1H-imidazole (21441-24-7)

Guidance literature:

With polystrene supported copper furfural catalyst; In methanol; at 40 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.molcata.2014.02.007

upstream raw materials:

p-fluorophenyl-1 mercapto-2 imidazole

1H-imidazole

1-Bromo-4-fluorobenzene

4-fluoroboronic acid

Downstream raw materials:

3-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-3H-imidazol-4-yl]imidazo[1,2-a]pyridine