Ethyl 5-ethyl-1H-imidazole-2-carboxylate

Base Information

• Chemical Name: Ethyl 5-ethyl-1H-imidazole-2-carboxylate
• CAS No.: 1171124-65-4
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.195
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID60566632
• Mol file: 1171124-65-4.mol

Synonyms:Ethyl 5-ethyl-1H-imidazole-2-carboxylate;1171124-65-4;ethyl 4-ethyl-1H-imidazole-2-carboxylate;1H-Imidazole-2-carboxylic acid, 5-ethyl-, ethyl ester;Ethyl5-ethyl-1H-imidazole-2-carboxylate;SCHEMBL2823105;SCHEMBL19358702;DTXSID60566632;QFBQZDDWPFZPSS-UHFFFAOYSA-N;WWB12465;MFCD24386911;AKOS016012283;CS-W022705;AS-44061;W16673;A855412

Chemical Property of Ethyl 5-ethyl-1H-imidazole-2-carboxylate

Chemical Property:

• Boiling Point: 298.1±33.0 °C(Predicted)
• PKA: 12.21±0.10(Predicted)
• PSA: 54.98000
• Density: 1.134±0.06 g/cm3(Predicted)
• LogP: 1.14880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-ethyl-1H-imidazole-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CN=C(N1)C(=O)OCC

Technology Process of Ethyl 5-ethyl-1H-imidazole-2-carboxylate

There total 1 articles about Ethyl 5-ethyl-1H-imidazole-2-carboxylate 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: 72.0%

1-amino-2-butanone hydrochloride (108661-54-7) + 2-ethoxy-1-(methylsulfanyl)-2-oxoethaniminium tetrafluoroborate → ethyl 5-ethyl-1H-imidazole-2-carboxylate (1171124-65-4)

Guidance literature:

1-amino-2-butanone hydrochloride; 2-ethoxy-1-(methylsulfanyl)-2-oxoethaniminium tetrafluoroborate; With sodium acetate; acetic acid; at 100 ℃; for 4h;

With sodium hydrogencarbonate; In water;

Reference yield: 45.0%

ethyl 5-ethyl-1H-imidazole-2-carboxylate (1171124-65-4) → ethyl 4-chloro-5-ethyl-1H-imidazole-2-carboxylate (1171124-66-5)

Guidance literature:

ethyl 5-ethyl-1H-imidazole-2-carboxylate; With N-chloro-succinimide; In chloroform; at 20 ℃; for 28h;

With sodium hydrogencarbonate; In chloroform; water;

upstream raw materials:

1-amino-2-butanone hydrochloride

Downstream raw materials:

ethyl 4-chloro-5-ethyl-1H-imidazole-2-carboxylate