5-ethyl-1H-imidazole

Base Information

• Chemical Name: 5-ethyl-1H-imidazole
• CAS No.: 19141-85-6
• Molecular Formula: C5H8N2
• Molecular Weight: 96.1319
• European Community (EC) Number: 806-948-9
• UNII: 3VIQ867IIR
• DSSTox Substance ID: DTXSID701347105
• Nikkaji Number: J884.189F
• Mol file: 19141-85-6.mol

Synonyms:5-ethyl-1H-imidazole;19141-85-6;4-ethyl-1H-imidazole;4-Ethylimidazole;1H-Imidazole, 4-ethyl-;1H-Imidazole, 5-ethyl-;5-ETHYLIMIDAZOL;3VIQ867IIR;MFCD00818234;4(5)-Ethylimidazole;5-ethylimidazole;UNII-3VIQ867IIR;NJQHZENQKNIRSY-UHFFFAOYSA-N;DTXSID701347105;AKOS006374168;AKOS028109334;AS-57711;SY055411;CS-0055072;E0984;EN300-103825;A880377;Z1203731354

Chemical Property of 5-ethyl-1H-imidazole

Chemical Property:

• Refractive Index: 1.5000 to 1.5040
• Boiling Point: 140°C/3mmHg(lit.)
• PKA: 14.72±0.10(Predicted)
• PSA: 28.68000
• Density: 1.024±0.06 g/cm3(Predicted)
• LogP: 0.97210
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 96.068748264
• Heavy Atom Count: 7
• Complexity: 54

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CN=CN1

Technology Process of 5-ethyl-1H-imidazole

There total 7 articles about 5-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: 80.0%

5-ethyl-4-tosyl-2-oxazoline → 4-ethyl-1H-imidazole (19141-85-6)

Guidance literature:

With ammonia; In methanol; at 90 - 110 ℃; for 20h;

Reference yield: 75.0%

ethylglyoxal (4417-81-6) + hexamethylenetetramine (100-97-0) → 4-ethyl-1H-imidazole (19141-85-6)

Guidance literature:

With ammonium acetate; acetic acid; at 105 ℃; for 0.0666667h; Microwave irradiation;

DOI:10.1055/s-0029-1216841

Reference yield: 72.0%

5-Ethyl-4-tosyl-2-oxazoline → 4-ethyl-1H-imidazole (19141-85-6)

Guidance literature:

With ammonia; In methanol; at 100 - 110 ℃; for 18h;

upstream raw materials:

4-ethyl-1,3-dihydro-imidazole-2-thione

nitric acid

ethylglyoxal

hexamethylenetetramine

Downstream raw materials:

1-[4-(4-ethylimidazol-1-yl)phenyl]ethanone

N,N'-(ethyl-ethenediyl)-bis-benzamide

Refernces

• 1、 -. "COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA". Paragraph 0172; 0174. . Retrieved 2015/11/16.
• 2、 Horne, David A.,Yakushijin, Kenichi,Buechi, George. "A Two-Step Synthesis of Imidazoles from Aldehydes via 4-Tosyloxazolines". . p. 139 - 154. Retrieved 2007/10/02.