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:

(Z)-3-(1-ethyl-1H-imidazol-2-yl)-3-phenyl-2-propenenitrile

Br^(1-)*C₂₁H₁₉Br₂N₂O⁽¹⁺⁾

1-ethyl-1H-imidazole-2-thiol

1-allyl-3-ethylimidazolium bromide

Refernces

• 1、 Ceylan, Yusuf,Usta, Keziban,Kunduracioglu, Ahmet,Usta, Ayhan,Cetinkaya, Bekir. "Identification of radical structures on 1-pentamethylbenzyl-3-ethylimidazoliumsilver(I)bromide and 1,3-bis(pentamethylbenzyl)-4,5-dimethylbenzimidazoliumsilver(I)bromide exposed to gamma rays: an EPR study". . p. 864 - 869. Retrieved 2016.
• 2、 Cebollada, Andrea,Viguri, Maialen Espinal,Pérez, Julio,Díaz, Jesús,López, Ramón,Riera, Lucía. "Influence of the N-N Coligand: C-C coupling instead of formation of imidazol-2-yl complexes at {Mo(η3-allyl)(CO)2} fragments. theoretical and experimental studies". . p. 2580 - 2590. Retrieved 2015.
• 3、 Beller, Matthias,Feng, Lu,Gao, Jie,Jackstell, Ralf,Jagadeesh, Rajenahally V.,Liu, Yuefeng,Ma, Rui. "Ambient Hydrogenation and Deuteration of Alkenes Using a Nanostructured Ni-Core–Shell Catalyst". supporting information. p. 18591 - 18598. Retrieved 2021/06/28.
• 4、 -. "A 2 - mercapto - 1 - alkyl imidazole of preparation method (by machine translation)". Paragraph 0042; 0043. . Retrieved 2018/01/19.