Methyl 1H-imidazole-2-carboxylate

Base Information

• Chemical Name: Methyl 1H-imidazole-2-carboxylate
• CAS No.: 17334-09-7
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.115
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID00338496
• Nikkaji Number: J100.592H
• Wikidata: Q82106902
• Mol file: 17334-09-7.mol

Synonyms:Methyl 1H-imidazole-2-carboxylate;17334-09-7;1H-Imidazole-2-carboxylic acid, methyl ester;1H-IMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER;Methyl 2-Imidazolecarboxylate;Imidazole-2-carboxylic acid, methyl ester;MFCD06203842;2-Methoxycarbonylimidazole;2-CARBOMETHOXYIMIDAZOLE;SCHEMBL262815;AMY3870;DTXSID00338496;Methyl1H-imidazole-2-carboxylate;Methyl 1H-imidazole-2-carboxylate #;AKOS006294727;CS-W005714;PB18713;DS-16335;SY026818;FT-0705810;EN300-98936;A847999;J-521765

Chemical Property of Methyl 1H-imidazole-2-carboxylate

Chemical Property:

• Melting Point: 195.5-196.0 °C
• Boiling Point: 262.6±23.0 °C(Predicted)
• PKA: 11.23±0.10(Predicted)
• PSA: 54.98000
• Density: 1.275±0.06 g/cm3(Predicted)
• LogP: 0.19630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 126.042927438
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

Methyl1H-Imidazole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC=CN1

Technology Process of Methyl 1H-imidazole-2-carboxylate

There total 3 articles about Methyl 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: 10.0%

N-phenyl-1H-imidazole-2-carboxamide (63678-16-0) → 2-imidazolecarboxylic acid methyl ester (17334-09-7) + bis(diphenyl)urea (102-07-8)

Guidance literature:

at 700 ℃;

DOI:10.1021/jo00353a006

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1H-imidazole-2-carboxylic acid (16042-25-4) → 2-imidazolecarboxylic acid methyl ester (17334-09-7)

Guidance literature:

DOI:10.1002/oms.1210190105

Reference yield:

→ 2-imidazolecarboxylic acid methyl ester (17334-09-7)

Guidance literature:

Imidazol (1g), Photolyse;

DOI:10.1002/hlca.19760590813

upstream raw materials:

diazomethane

1H-imidazole-2-carboxylic acid

N-phenyl-1H-imidazole-2-carboxamide

Downstream raw materials:

C₁₄H₁₂F₃N₃O₃