4,5-Diphenylimidazole

Base Information

• Chemical Name: 4,5-Diphenylimidazole
• CAS No.: 668-94-0
• Molecular Formula: C15H12 N2
• Molecular Weight: 220.274
• Hs Code.: 29332990
• European Community (EC) Number: 211-573-3
• NSC Number: 59776
• UNII: 398688L26Z
• DSSTox Substance ID: DTXSID5045700
• Nikkaji Number: J41.177I
• Wikidata: Q27256878
• ChEMBL ID: CHEMBL224554
• Mol file: 668-94-0.mol

Synonyms:4,5-Diphenylimidazole;668-94-0;4,5-Diphenyl-1H-imidazole;1H-Imidazole, 4,5-diphenyl-;Imidazole, 4,5-diphenyl-;Diphenylimidazole;MFCD00005198;MLS000080782;MLS000737353;DTXSID5045700;UNII-398688L26Z;EINECS 211-573-3;NSC 59776;NSC-59776;NCGC00063561-02;NCGC00063561-03;SMR000036666;Diphenylimidazole (JAN);398688L26Z;DIPHENYLIMIDAZOLE [JAN];DTXCID3025700;CAS-668-94-0;4,5-diphenylimidazol;Imidazole,5-diphenyl-;4,5-Diphenylglyoxaline;4,5-diphenyl imidazole;1H-Imidazole,5-diphenyl-;Oprea1_670407;cid_69588;SCHEMBL224770;4,5-Diphenylimidazole, 98%;4,5-di(phenyl)-1H-imidazole;CHEMBL224554;F1324-0039;4,5-Diphenyl-1H-imidazole #;SCHEMBL16503669;BDBM49002;CPHGOBGXZQKCKI-UHFFFAOYSA-;HMS2429I16;AMY40751;NSC59776;Tox21_110979;STK394297;AKOS000273260;AKOS025394799;Tox21_110979_1;US9138393, 4,5-diphenylimidazole;US9144538, 4,5-diphenylimidazole;4,5-DIPHENYLIMIDAZOLE [WHO-DD];CS-0021594;D2107;FT-0617216;D02067;[3-(4-methoxyphenyl)-1-phenyl-propyl] acetate;A835576;AC-907/25014326;Q27256878

Chemical Property of 4,5-Diphenylimidazole

Chemical Property:

• Appearance/Colour: light beige fine crystalline powder
• Vapor Pressure: 5.51E-07mmHg at 25°C
• Melting Point: 228-230 °C(lit.)
• Refractive Index: 1.627
• Boiling Point: 423.4 °C at 760 mmHg
• PKA: 12.99±0.10(Predicted)
• Flash Point: 223.7 °C
• PSA: 28.68000
• Density: 1.149 g/cm³
• LogP: 3.74370
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in methanol.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 220.100048391
• Heavy Atom Count: 17
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

4,5-Diphenyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(N=CN2)C3=CC=CC=C3
• Uses: 4,5-Diphenylimidazole is used as a precursor for azo dyes such as 2-(quinolylazo)-4,5-diphenylimidazole . It is also used to determine metal ions by spectrophotometrically. It acts as a chromogenic reagent.

Technology Process of 4,5-Diphenylimidazole

There total 55 articles about 4,5-Diphenylimidazole 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%

4,5-diiodo-1H-imidazole (15813-09-9) + phenylboronic acid (98-80-6) → 4,5-diphenyl-1H-imidazole (668-94-0)

Guidance literature:

With dipotassium hydrogenphosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetrabutylammomium bromide; In methanol; water; at 100 ℃; for 1h; Temperature; Reagent/catalyst; Inert atmosphere; Microwave irradiation;

DOI:10.1002/adsc.201300395

Reference yield: 97.08%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) → 4,5-diphenyl-1H-imidazole (668-94-0)

Guidance literature:

With ammonium cerium (IV) nitrate; ammonium acetate; In ethanol; water; at 75 - 80 ℃;

DOI:10.1016/j.bmc.2018.01.029

Reference yield: 95.0%

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4,5-diphenyl-1H-imidazole (668-94-0)

Guidance literature:

In ethanol; for 4h; Reflux;

DOI:10.1002/jhet.3044

upstream raw materials:

2-chloro-4,5-diphenyl-1H-imidazole

hexamethylenetetramine

benzil

4,5-diphenyl-imidazole-1-carboxylic acid anilide

Downstream raw materials:

α,α'-bis(4,5-diphenylimidazol-1-yl)-o-xylene

α,α'-bis(4,5-diphenylimidazol-1-yl)-m-xylene

4-(4-chlorophenyl)-2-(4,5-diphenyl-1-imidazolyl)-5-[3-(2-methoxyphenoxy)propyl]oxazole

TlBr₃(4,5-diphenyl-imidazole)2

Refernces

• 1、 Mahmoud, Waleed A.,Musa, Amir,Obaid, Nadia H.. "Synthesis and characterization of new azo 4,5-dimethyl-2-((3-((E)-1-(2- phenylhydrazono)ethyl)phenyl)diazenyl)-1H-imidazole and its metal(II) complexes". . p. 551 - 555. Retrieved 2018.
• 2、 -. "Synthesis method and application of 4, 5-diphenylimidazoline". Paragraph 0020-0030. . Retrieved 2020/09/30.