4,5-diiodo-1-methyl-1H-imidazole

Base Information

• Chemical Name: 4,5-diiodo-1-methyl-1H-imidazole
• CAS No.: 37067-96-2
• Molecular Formula: C4H4I2N2
• Molecular Weight: 333.898
• Hs Code.: 2933290090
• European Community (EC) Number: 812-092-7
• NSC Number: 329118
• DSSTox Substance ID: DTXSID50318344
• Nikkaji Number: J982.911C
• Wikidata: Q82073842
• Mol file: 37067-96-2.mol

Synonyms:4,5-diiodo-1-methyl-1H-imidazole;37067-96-2;4,5-diiodo-1-methylimidazole;1-Methyl-4,5-diiodo-1H-imidazole;MFCD03001336;NSC329118;1H-Imidazole, 4,5-diiodo-1-methyl-;SCHEMBL4801074;4,5-diiodo-1-methyl-imidazole;DTXSID50318344;BBL029822;STK940981;AKOS005256080;AB12801;NSC 329118;NSC-329118;VS-09450;CS-0186914;FT-0652375;EN300-103475;A823519

Chemical Property of 4,5-diiodo-1-methyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 1.06E-05mmHg at 25°C
• Melting Point: 142-143 °C
• Refractive Index: 1.803
• Boiling Point: 382.2 °C at 760 mmHg
• PKA: 2.79±0.61(Predicted)
• Flash Point: 185 °C
• PSA: 17.82000
• Density: 2.83 g/cm³
• LogP: 1.62930
• Storage Temp.: Keep Cold
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 333.84639
• Heavy Atom Count: 8
• Complexity: 88.1

Purity/Quality:

97% ^*data from raw suppliers

4,5-Diiodo-1-methyl-1H-imidazole ^*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=NC(=C1I)I

Technology Process of 4,5-diiodo-1-methyl-1H-imidazole

There total 4 articles about 4,5-diiodo-1-methyl-1H-imidazole 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: 95.8%

4,5-diiodo-1H-imidazole (15813-09-9) + methyl iodide (74-88-4) → 4,5-diiodo-1-methyl-1H-imidazole (37067-96-2)

Guidance literature:

4,5-diiodo-1H-imidazole; With potassium tert-butylate; In tetrahydrofuran; at 5 ℃; for 0.166667h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 5 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acsmedchemlett.8b00287

Reference yield: 69.0%

1-methyl-1H-imidazole (616-47-7) → 4,5-diiodo-1-methyl-1H-imidazole (37067-96-2)

Guidance literature:

With 1-butyl-3-methyl-pyridinium dichloroiodate; at 80 ℃; for 5h; Inert atmosphere;

Reference yield: 15.0%

1-methyl-1H-imidazole (616-47-7) → 4,5-diiodo-1-methyl-1H-imidazole (37067-96-2) + 2,4,5-triiodo-1-methyl-imidazole (37067-97-3) + 5-iodo-1N-methyl imidazole (71759-88-1)

Guidance literature:

With sulfuric acid; iodine; iodic acid; acetic acid; In tetrachloromethane; water; for 12h; Heating;

upstream raw materials:

1-methyl-1H-imidazole

4,5-diiodo-1H-imidazole

methyl iodide

Downstream raw materials:

4-iodo-1-methyl-1H-imidazole

4-Iodo-1-methyl-5-(3-methyl-but-2-enyl)-1H-imidazole

4,5-diphenyl-1-methyl-1H-imidazole

1-methyl-4,5-di-prop-1-ynyl-1H-imidazole