(1-Methyl-1H-imidazol-2-yl)-oxo-acetic acid ethyl ester

Base Information

• Chemical Name: (1-Methyl-1H-imidazol-2-yl)-oxo-acetic acid ethyl ester
• CAS No.: 62366-58-9
• Molecular Formula: C8H10N2O3
• Molecular Weight: 182.179
• Hs Code.: 2933290090
• European Community (EC) Number: 803-998-3
• DSSTox Substance ID: DTXSID90400095
• Nikkaji Number: J2.958.376E
• Wikidata: Q82202925
• Mol file: 62366-58-9.mol

Synonyms:62366-58-9;(1-Methyl-1H-imidazol-2-yl)-oxo-acetic acid ethyl ester;ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate;ethyl 2-(1-methylimidazol-2-yl)-2-oxoacetate;Ethyl2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate;SCHEMBL368253;DTXSID90400095;AKOS000303296;BB 0257554;CS-0250846;FT-0734057;EN300-52431;F83222;ethyl (1-methyl-1H-imidazol-2-yl)(oxo)acetate;J-520579;Z56783704;(1-Methyl-1H-Imidazol-2-Yl)oxoacetic Acid Ethyl Ester;alpha-Oxo-1-methyl-1H-imidazole-2-acetic acid ethyl ester;Ethyl 2-(1-methylimidazol-2-yl)-2-oxoacetate, AldrichCPR;(1-Methyl-1H-imidazol-2-yl)-oxo-acetic acid ethyl ester, ethyl 2-(1-methylimidazol-2-yl)-2-oxoacetate

Chemical Property of (1-Methyl-1H-imidazol-2-yl)-oxo-acetic acid ethyl ester

Chemical Property:

• Melting Point: 60 °C
• Boiling Point: 306.8±25.0 °C(Predicted)
• PKA: 2.33±0.25(Predicted)
• PSA: 61.19000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 0.16590
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 182.06914219
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl 2-(1-methylimidazol-2-yl)-2-oxoacetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1=NC=CN1C

Technology Process of (1-Methyl-1H-imidazol-2-yl)-oxo-acetic acid ethyl ester

There total 2 articles about (1-Methyl-1H-imidazol-2-yl)-oxo-acetic acid ethyl ester 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: 95.0%

1-methyl-1H-imidazole (616-47-7) + Ethyl oxalyl chloride (4755-77-5) → ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate (62366-58-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at -20 - 20 ℃;

DOI:10.1055/s-0030-1260003

Reference yield:

→ ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate (62366-58-9)

Guidance literature:

1-Methylimidazol, Oxalsaeure-ethylester-chlorid;

Reference yield: 95.0%

2-amino-4,5-difluoroaniline (76179-40-3) + ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate (62366-58-9) → 6,7-difluoro-3-(1-methyl-1H-imidazol-2-yl)quinoxalin-2(1H)-one (1629683-89-1)

Guidance literature:

In acetonitrile; at 20 ℃;

DOI:10.1055/s-0033-1340983

upstream raw materials:

1-methyl-1H-imidazole

Ethyl oxalyl chloride

Downstream raw materials:

6,7-difluoro-3-(1-methyl-1H-imidazol-2-yl)quinoxalin-2(1H)-one