1-(1H-Imidazol-1-yl)ethyl acetate

Base Information

• Chemical Name: 1-(1H-Imidazol-1-yl)ethyl acetate
• CAS No.: 10464-67-2
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.169
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID60562038
• Nikkaji Number: J314.869F
• Mol file: 10464-67-2.mol

Synonyms:1-(1H-Imidazol-1-yl)ethyl acetate;10464-67-2;1-imidazol-1-ylethyl acetate;1-(1-IMIDAZOLYL)ETHYL ACETATE;DTXSID60562038;AKOS006346559

Chemical Property of 1-(1H-Imidazol-1-yl)ethyl acetate

Chemical Property:

• PSA: 44.12000
• LogP: 0.96470
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

1-(1-IMIDAZOLYL)ETHYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(N1C=CN=C1)OC(=O)C

Technology Process of 1-(1H-Imidazol-1-yl)ethyl acetate

There total 3 articles about 1-(1H-Imidazol-1-yl)ethyl acetate 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: 98.0%

1H-imidazole (288-32-4) + vinyl acetate (108-05-4,9003-20-7) → 1-(1H-imidazol-1-yl)ethyl acetate (10464-67-2)

Guidance literature:

With 9-amino(9-deoxy)dihydroquinidine; In acetonitrile; at 50 ℃; for 48h; Reagent/catalyst; Temperature; Solvent; regioselective reaction; Green chemistry;

DOI:10.1039/c8nj01277f

Reference yield: 40.0%

N-Acetylimidazole (2466-76-4) + acetaldehyde (75-07-0,9002-91-9) → 1-(1H-imidazol-1-yl)ethyl acetate (10464-67-2)

Guidance literature:

zinc(II) chloride; In acetonitrile; at 65 ℃; for 16h;

DOI:10.1002/jhet.5570270362

Reference yield:

→ 1-(1H-imidazol-1-yl)ethyl acetate (10464-67-2)

Guidance literature:

Imidazol, Vinylacetat, W. (2h);

DOI:10.1021/jo01282a044

upstream raw materials:

N-Acetylimidazole

acetaldehyde

1H-imidazole

vinyl acetate

Downstream raw materials:

1-vinylimidazole