Ethyl 1H-imidazole-1-acetate

Base Information

• Chemical Name: Ethyl 1H-imidazole-1-acetate
• CAS No.: 17450-34-9
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.169
• Hs Code.: 2933290090
• European Community (EC) Number: 834-626-8
• DSSTox Substance ID: DTXSID70396568
• Nikkaji Number: J2.093.277E
• Wikidata: Q72475429
• ChEMBL ID: CHEMBL541732
• Mol file: 17450-34-9.mol

Synonyms:17450-34-9;Ethyl 1H-imidazole-1-acetate;Ethyl 2-(1-Imidazolyl)acetate;Ethyl 2-(1H-imidazol-1-yl)acetate;Ethyl 2-imidazol-1-ylacetate;ethyl 1H-imidazol-1-ylacetate;ethyl 2-(imidazol-1-yl)acetate;1H-Imidazole-1-acetic acid, ethyl ester;Imidazol-1-yl-acetic acid ethyl ester;MFCD05149485;Ethyl1H-Imidazole-1-Acetate;Ethyl2-(1-Imidazolyl)acetate;ethyl imidazol-1-ylacetate;SCHEMBL563845;CHEMBL541732;DTXSID70396568;OITZNDMCFHYWLX-UHFFFAOYSA-N;AMY10116;BBL015968;STL170070;AKOS005173869;AC-7524;1H-Imidazole-1-acetic acid ethyl ester;2-(2-ethyl-1H-imidazol-1-yl)acetate;1H-Imidazol-1-ylacetic acid ethyl ester;2-imidazol-1-yl-acetic acid ethyl ester;AS-15658;SY005432;A3857;BB 0241519;CS-0099195;FT-0657906;EN300-84507;J-010995;F2183-1356;Z203975954

Chemical Property of Ethyl 1H-imidazole-1-acetate

Chemical Property:

• Vapor Pressure: 0.00177mmHg at 25°C
• Melting Point: 124-125 °C
• Refractive Index: 1.524
• Boiling Point: 293 °C at 760 mmHg
• PKA: 6.26±0.10(Predicted)
• Flash Point: 131 °C
• PSA: 44.12000
• Density: 1.14 g/cm³
• LogP: 0.44620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Ethyl1H-Imidazole-1-acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C=CN=C1

Technology Process of Ethyl 1H-imidazole-1-acetate

There total 10 articles about Ethyl 1H-imidazole-1-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: 93.0%

1H-imidazole (288-32-4) + diazoacetic acid ethyl ester (623-73-4) → ethyl 2-(1H-imidazol-1-yl)acetate (17450-34-9)

Guidance literature:

copper; In xylene; at 80 ℃; for 8h;

DOI:10.1055/s-1981-29551

Reference yield: 91.0%

1H-imidazole (288-32-4) + ethyl bromoacetate (105-36-2) → ethyl 2-(1H-imidazol-1-yl)acetate (17450-34-9)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 26 ℃; for 0.333333h;

DOI:10.1080/00397910903226166

Reference yield: 84.0%

1H-imidazole (288-32-4) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(1H-imidazol-1-yl)acetate (17450-34-9)

Guidance literature:

With potassium carbonate; In acetone; for 10h; Heating;

upstream raw materials:

1H-imidazole

diazoacetic acid ethyl ester

1,3-diethyl 2-diazopropanedioate

ethyl bromoacetate

Refernces

• 1、 Wang, Tengfei,Zhu, Xinrui,Mao, Lemin,Liu, Yi,Ren, Tiegang,Wang, Li,Zhang, Jinglai. "Synergistic cooperation of bi-active hydrogen atoms in protic carboxyl imidazolium ionic liquids to push cycloaddition of CO2 under benign conditions". . . Retrieved 2019.
• 2、 Cuevas-Ya?ez, Erick,Serrano, Juan Manuel,Huerta, Gloria,Muchowski, Joseph M.,Cruz-Almanza, Raymundo. "Copper carbenoid mediated N-alkylation of imidazoles and its use in a novel synthesis of bifonazole". . p. 9391 - 9396. Retrieved 2004.
• 3、 -. "One-pot preparation method for imidazol-1-yl-acetic acid". Paragraph 0030-0038. . Retrieved 2020/07/15.