Ethyl 5-methyl-1H-imidazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 5-methyl-1H-imidazole-4-carboxylate
• CAS No.: 51605-32-4
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.169
• Hs Code.: 2933290090
• European Community (EC) Number: 257-315-3
• NSC Number: 195976
• UNII: ET2TR8P0QG
• DSSTox Substance ID: DTXSID5068655
• Nikkaji Number: J236.731I
• Wikidata: Q72475899
• ChEMBL ID: CHEMBL1704767
• Mol file: 51605-32-4.mol

Synonyms:emizco cpd;ethyl 5-methyl-4-imidazolecarboxylate

Chemical Property of Ethyl 5-methyl-1H-imidazole-4-carboxylate

Chemical Property:

• Appearance/Colour: off-white to yellow crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 204-206 °C(lit.)
• Refractive Index: 1.52
• Boiling Point: 323.663 °C at 760 mmHg
• PKA: 11.47±0.10(Predicted)
• Flash Point: 149.546 °C
• PSA: 54.98000
• Density: 1.171 g/cm³
• LogP: 0.89480
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: chloroform/methanol: soluble50mg/mL, clear, colorless to light y
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• 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

Ethyl 5-methyl-1h-imidazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Imidazoles
• Canonical SMILES: CCOC(=O)C1=C(NC=N1)C

Technology Process of Ethyl 5-methyl-1H-imidazole-4-carboxylate

There total 9 articles about Ethyl 5-methyl-1H-imidazole-4-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: 61.0%

2-hydroxyiminoacetoacetic acid ethyl ester → Ethyl 5-Methyl-4-imidazolecarboxylate (51605-32-4)

Guidance literature:

With hydrogenchloride; ammonium hydroxide; paraformaldehyde;

Reference yield: 50.0%

ethyl 2-(hydroxyimino)-3-oxybutyrate (66508-93-8) + ethyl acetoacetate (141-97-9) → Ethyl 5-Methyl-4-imidazolecarboxylate (51605-32-4)

Guidance literature:

With ammonium hydroxide;

Reference yield: 37.0%

→ Ethyl 5-Methyl-4-imidazolecarboxylate (51605-32-4)

Guidance literature:

upstream raw materials:

2-Hydroxy-3-oxo-buttersaeure-ethylester

formamide

ethyl 2-chloro-3-oxo-butyrate

ethyl iodide

Downstream raw materials:

2-methyl-3H-imidazole-4-carboxylic acid

4-methylimidazol-5-yl-carboxylic acid hydrazide

5-(4-methylimidazolyl)-3,4-diphenylisoxazole

3-benzyl-5-(4-methylimidazolyl)-4-phenylisoxazole