2-Ethyl-4-phenyl-1H-imidazole

Base Information

• Chemical Name: 2-Ethyl-4-phenyl-1H-imidazole
• CAS No.: 13739-51-0
• Molecular Formula: C11H12N2
• Molecular Weight: 172.23
• DSSTox Substance ID: DTXSID30587495
• Wikidata: Q82479939
• Mol file: 13739-51-0.mol

Synonyms:2-Ethyl-4-phenyl-1H-imidazole;13739-51-0;2-ethyl-5-phenyl-1H-imidazole;2-ethyl-4-phenylimidazole;SCHEMBL457222;DTXSID30587495;JCQOGMHNCICGIX-UHFFFAOYSA-N;AKOS006274465;NCGC00374441-01;DB-112043

Chemical Property of 2-Ethyl-4-phenyl-1H-imidazole

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC=C(N1)C2=CC=CC=C2

Technology Process of 2-Ethyl-4-phenyl-1H-imidazole

There total 4 articles about 2-Ethyl-4-phenyl-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: 89.0%

N-(cyanomethyl)propionamide (36801-37-3) + phenylboronic acid (98-80-6) → 2-ethyl-4-phenyl-1H-imidazole (13739-51-0)

Guidance literature:

With dibromobis(triphenylphosphine)nickel(II); sodium sulfate; 4,4'-di-tert-butyl-2,2'-bipyridine; In toluene; at 120 ℃; for 24h; Sealed tube;

DOI:10.1002/adsc.201900096

Reference yield:

1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2) → 2-ethyl-4-phenyl-1H-imidazole (13739-51-0)

Guidance literature:

Multi-step reaction with 2 steps

1: water

2: copper (II)-acetate; H₂O; NH₃

With ammonia; water; copper diacetate;

Reference yield:

ammonia (7664-41-7) + water (7732-18-5) + copper diacetate (142-71-2) + propionaldehyde (123-38-6) + 1-phenyl-2-hydroxyethanone (582-24-1) → 2-ethyl-4-phenyl-1H-imidazole (13739-51-0)

Guidance literature:

upstream raw materials:

ammonia

water

copper diacetate

propionaldehyde

Downstream raw materials:

(E)-2-[8-(2-ethyl-4-phenylimidazol-1-yl)methyl-6,11-dihydrodibenzo[b,e]oxepin-11-ylidene]propiononitrile