1-(2-Chloroethyl)imidazole

Base Information

• Chemical Name: 1-(2-Chloroethyl)imidazole
• CAS No.: 92952-84-6
• Molecular Formula: C5H7 Cl N2
• Molecular Weight: 130.577
• DSSTox Substance ID: DTXSID80373926
• Wikidata: Q82162332
• Mol file: 92952-84-6.mol

Synonyms:1-(2-Chloroethyl)-1H-imidazole;92952-84-6;1-(2-chloroethyl)imidazole;1-(2-chloro-ethyl)-1H-imidazole;1H-Imidazole, 1-(2-chloroethyl)-;SCHEMBL647237;DTXSID80373926;WQRYDDUXWFSPQG-UHFFFAOYSA-N;MFCD03727254;AKOS009016621;CS-0099622;A844399;V9P

Chemical Property of 1-(2-Chloroethyl)imidazole

Chemical Property:

• Vapor Pressure: 0.0117mmHg at 25°C
• Melting Point: 108-118°C
• Boiling Point: 269.9°Cat760mmHg
• Flash Point: 117°C
• PSA: 17.82000
• Density: 1.19g/cm³
• LogP: 1.92390
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 130.0297759
• Heavy Atom Count: 8
• Complexity: 67.4

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Chloroethyl)-1H-imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)CCCl

Technology Process of 1-(2-Chloroethyl)imidazole

There total 4 articles about 1-(2-Chloroethyl)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: 87.0%

1H-imidazole (288-32-4) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 2-(imidazol-1-yl)ethyl chloride (92952-84-6)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; potassium carbonate; at 45 - 50 ℃; for 3.5h;

DOI:10.1080/00397910008086974

Reference yield: 52.14%

1H-imidazole (288-32-4) + 1-Bromo-2-chloroethane (107-04-0) → 2-(imidazol-1-yl)ethyl chloride (92952-84-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 50 ℃; for 15h;

Reference yield:

1-(2-Hydroxyethyl)imidazole (1615-14-1) → 2-(imidazol-1-yl)ethyl chloride (92952-84-6)

Guidance literature:

With thionyl chloride; In toluene;

upstream raw materials:

1H-imidazole

1,2-dichloro-ethane

1-Bromo-2-chloroethane

1-(2-Hydroxyethyl)imidazole

Downstream raw materials:

1-(2-(phenylselanyl)ethyl)-1H-imidazole

2-(1H-imidazol-1-yl)ethyl methacrylate

3-(1-(2-(1H-imidazol-1-yl)ethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-(1-methyl-1H-indol-3-yl)-1-phenyl-1H-pyrrole-2,5-dione

3-(1-(2-(1H-imidazol-1-yl)ethyl)-1H-indol-3-yl)-1-phenyl-4-(1H-pyrrolo[3,2-b]pyridin-1-yl)-1H-pyrrole-2,5-dione