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

Base Information

• Chemical Name: 4,5-Dibromo-1-methyl-1H-imidazole
• CAS No.: 1003-50-5
• Molecular Formula: C4H4Br2N2
• Molecular Weight: 239.9
• Hs Code.: 2933290090
• European Community (EC) Number: 686-957-0
• DSSTox Substance ID: DTXSID10378409
• Nikkaji Number: J3.263.984D
• Wikidata: Q72464533
• Mol file: 1003-50-5.mol

Synonyms:4,5-Dibromo-1-methyl-1H-imidazole;1003-50-5;4,5-dibromo-1-methylimidazole;MFCD00955568;SCHEMBL10714729;DTXSID10378409;1-Methyl-4,5-dibromo-1H-imidazole;AKOS015835013;4,5-bis(bromanyl)-1-methyl-imidazole;AB07724;CS-W000123;1H-Imidazole, 4,5-dibromo-1-methyl-;AM802818;AS-62260;SY041697;4,5-Dibromo-1-methyl-1H-imidazole, 95%;FT-0633229;EN300-206168;A800103;J-000113

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

Chemical Property:

• Vapor Pressure: 0.000186mmHg at 25°C
• Melting Point: 68-71 °C
• Refractive Index: 1.671
• Boiling Point: 339 °C at 760 mmHg
• PKA: 2.51±0.61(Predicted)
• Flash Point: 158.8 °C
• PSA: 17.82000
• Density: 2.22 g/cm³
• LogP: 1.94510
• Storage Temp.: Keep Cold
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 239.87207
• Heavy Atom Count: 8
• Complexity: 88.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,5-Dibromo-1-methyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC(=C1Br)Br

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

There total 10 articles about 4,5-Dibromo-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: 80.0%

N-methyl-2,4,5-tribromoimidazole (1003-91-4) → 4,5-dibromo-1-methyl-1H-imidazole (1003-50-5)

Guidance literature:

With ethylmagnesium bromide; In diethyl ether; for 3h; Ambient temperature;

DOI:10.1055/s-1988-27702

Reference yield: 60.0%

1-methyl-1H-imidazole (616-47-7) → 4,5-dibromo-1-methyl-1H-imidazole (1003-50-5)

Guidance literature:

With ethylenebis(N-methylimidazolium) bis(tribromide); In dichloromethane; at 20 ℃; for 0.333333h; regioselective reaction;

DOI:10.1080/00397910903019975

Reference yield: 16.0%

1-methyl-1H-imidazole (616-47-7) → 5-bromo-N-methylimidazole (1003-21-0) + 4,5-dibromo-1-methyl-1H-imidazole (1003-50-5)

Guidance literature:

With N-Bromosuccinimide; In chloroform; for 2h; Heating;

upstream raw materials:

1-methyl-1H-imidazole

4,5-dibromo-1H-imidazole

dimethyl sulfate

dimethyloxamide

Downstream raw materials:

1-methyl-4,5-dicyanoimidazole

4-bromo-1-methyl-1H-imidazole

2,4-dibromo-1-methyl-1H-imidazole

4,5-dibromo-1-methyl-2-phenyl-1H-imidazole

Refernces

• 1、 -. "HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF". Paragraph 00639-00640. . Retrieved 2018/02/28.
• 2、 Effenberger, Franz,Roos, Michael,Ahmad, Roshan,Krebs, Andreas. "Carbodesilylation of (Trimethylsilyl)imidazoles and -pyrazoles". . p. 1639 - 1650. Retrieved 2007/10/02.