1-Ethyl-1H-imidazole

Base Information

• Chemical Name: 1-Ethyl-1H-imidazole
• CAS No.: 7098-07-9
• Molecular Formula: C5H8N2
• Molecular Weight: 96.1319
• Hs Code.: 2942000000
• European Community (EC) Number: 230-403-9
• UNII: T49PA5I372
• DSSTox Substance ID: DTXSID10221209
• Nikkaji Number: J109.518H
• Wikidata: Q72475423
• ChEMBL ID: CHEMBL13911
• Mol file: 7098-07-9.mol

Synonyms:1-Ethylimidazole;1-Ethyl-1H-imidazole;7098-07-9;N-Ethylimidazole;Imidazole, 1-ethyl-;1H-Imidazole, 1-ethyl-;1-Ethylimidazole, >98%;T49PA5I372;MFCD00055389;1-ethyl imidazole;1-Ethyl-1H-imidazole #;CHEMBL13911;UNII-T49PA5I372;DTXSID10221209;EINECS 230-403-9;STL583912;AKOS000274662;AC-7525;CS-W011340;PS-9345;E0132;FT-0636356;FT-0655102;EN300-53759;D70860;EC 230-403-9;W-104539;1-Ethylimidazole, produced by BASF, >=95.0% (HPLC);Z286789018

Chemical Property of 1-Ethyl-1H-imidazole

Chemical Property:

• Appearance/Colour: light yellow gralular crystal
• Vapor Pressure: 0.334mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 206.9 °C at 760 mmHg
• PKA: 7.08±0.10(Predicted)
• Flash Point: 78.9 °C
• PSA: 17.82000
• Density: 0.97 g/cm³
• LogP: 0.90300
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 96.068748264
• Heavy Atom Count: 7
• Complexity: 54

Purity/Quality:

99% ^*data from raw suppliers

1-Ethyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 36/37/38-52/53-34-22
• Safety Statements: 26-36/37/39-61-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=CN=C1

Technology Process of 1-Ethyl-1H-imidazole

There total 33 articles about 1-Ethyl-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: 100.0%

1-vinylimidazole (1072-63-5,25232-42-2) + hydrogen (1333-74-0) → N-Ethylimidazole (7098-07-9)

Guidance literature:

With C₆₁H₉₈ClN₃P₂Ru; In dichloromethane-d2; at 50 ℃; for 10h; under 3040.2 Torr; Reagent/catalyst; Time;

DOI:10.1039/c4dt03156c

Reference yield: 100.0%

1H-imidazole (288-32-4) + ethanol (64-17-5) → N-Ethylimidazole (7098-07-9)

Guidance literature:

H-Y zeolite; at 299.9 ℃;

DOI:10.1039/c39950000009

Reference yield: 94.0%

1H-imidazole (288-32-4) + ethyl bromide (74-96-4) → N-Ethylimidazole (7098-07-9)

Guidance literature:

With potassium hydroxide; PEG-400-Et₂; In water; benzene; at 30 ℃; for 3h;

DOI:10.1246/bcsj.56.280

upstream raw materials:

1H-imidazole

ethyl bromide

ethyl 1-imidazolecarboxylate

2,4,5-tribromo-1-ethyl-1H-imidazole

Downstream raw materials:

1-ethyl-3-methylimidazolium iodide

2-Ethylimidazole

hydrogen cyanide

2,4,5-tribromo-1-ethyl-1H-imidazole

Refernces

A new tandem reaction of benzyne: One-pot synthesis of aryl amines containing anthracene

10.1021/ol063017g

The study investigates a novel tandem reaction involving benzyne and N-substituted imidazoles to synthesize aryl amines containing anthracene under mild conditions. Benzyne, generated from o-trimethylsilyl aryltriflates, reacts with various N-substituted imidazoles, such as N-methylimidazole, N-ethylimidazole, and N-benzylimidazole, to form aryl amines with anthracene in a one-pot process. The reaction is believed to proceed via a tandem mechanism involving a Diels-Alder reaction and an intermolecular nucleophilic coupling reaction. The ratio of benzyne to imidazole is crucial for the reaction direction, and the optimized conditions include a 1:1 ratio at 50 °C in acetonitrile solvent for 12 hours. The study provides a transition-metal-free method to construct aryl amines containing anthracene, which are important building blocks in natural products and functional materials.