Methyl 1-methyl-1H-imidazole-4-carboxylate

Base Information

• Chemical Name: Methyl 1-methyl-1H-imidazole-4-carboxylate
• CAS No.: 17289-19-9
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• Hs Code.: 2933290090
• European Community (EC) Number: 640-228-3
• DSSTox Substance ID: DTXSID50378509
• Nikkaji Number: J3.019.846H
• Wikidata: Q72492855
• Mol file: 17289-19-9.mol

Synonyms:17289-19-9;METHYL 1-METHYL-1H-IMIDAZOLE-4-CARBOXYLATE;methyl 1-methylimidazole-4-carboxylate;1-Methyl-1H-Imidazole-4-Carboxylic Acid Methyl Ester;MFCD02179561;1H-Imidazole-4-carboxylic acid, 1-methyl-, methyl ester;METHYL1-METHYL-1H-IMIDAZOLE-4-CARBOXYLATE;SCHEMBL1613089;DTXSID50378509;KZPZTVKOJSKVBV-UHFFFAOYSA-N;VT1447;methyl 1-methylimidazol-4-carboxylate;AKOS006229215;CS-W023129;PS-3342;Methyl 1-methyl-1H-imidazole-carboxylate;SY018598;methyl (1-n-methyl)imidazole-4-carboxylate;A3813;FT-0655145;EN300-70710;Q-103099;1H-Imidazole-4-carboxylicacid,1-methyl-,methyl ester;F6782-4229;(+/-)-9-HYDROXY-10E,12Z-OCTADECADIENOICACID,CHOLESTERYLESTER

Chemical Property of Methyl 1-methyl-1H-imidazole-4-carboxylate

Chemical Property:

• Appearance/Colour: pale yellow solid.
• Vapor Pressure: 0.00294mmHg at 25°C
• Melting Point: 102-103°C
• Refractive Index: 1.531
• Boiling Point: 284.625 °C at 760 mmHg
• PKA: 3.37±0.61(Predicted)
• Flash Point: 125.937 °C
• PSA: 44.12000
• Density: 1.188 g/cm³
• LogP: 0.20670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-Methyl-1H-imidazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1)C(=O)OC

Technology Process of Methyl 1-methyl-1H-imidazole-4-carboxylate

There total 13 articles about Methyl 1-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: 98.0%

methyl 1-methyl-2-(methylthio)-1H-imidazole-4-carboxylate (754225-84-8) → methyl 1-methyl-1H-imidazole-4-carboxylate (17289-19-9)

Guidance literature:

With triethylsilane; palladium 10% on activated carbon; In tetrahydrofuran; at 0 - 20 ℃; for 2h; chemoselective reaction;

DOI:10.1021/ol2026813

Reference yield: 90.0%

methanol (67-56-1) + 1-methylimidazole-4-carboxylic acid (41716-18-1) → methyl 1-methyl-1H-imidazole-4-carboxylate (17289-19-9)

Guidance literature:

With hydrogenchloride; for 12h; Heating;

DOI:10.1055/s-1988-27702

Reference yield: 60.0%

methanol (67-56-1) + 1-methyl-1H-imidazole-4,5-dicarboxylic acid (19485-38-2) → methyl 1-methyl-1H-imidazole-4-carboxylate (17289-19-9) + methyl 1-methyl-1H-imidazole-5-carboxylate (17289-20-2)

Guidance literature:

1-methyl-1H-imidazole-4,5-dicarboxylic acid; With acetic anhydride; at 95 - 100 ℃;

With thionyl chloride; Heating;

methanol;

DOI:10.1021/ol053118z

upstream raw materials:

methanol

1-methyl-1H-imidazole-4-carbonyl chloride

1-methylimidazole-4-carboxylic acid

N-phenyl methyl-1 imidazole carboxamide-5

Downstream raw materials:

1-methyl-5-imidazolecarboxylic acid hydrochloride

1-(3-benzylphenyl)-3-(1-N-methylimidazole-4-yl)propane-1,3-dione

1-(1-methyl-1H-imidazol-4-yl)ethanone