4,5-Dibromo-2-methylimidazole

Base Information

• Chemical Name: 4,5-Dibromo-2-methylimidazole
• CAS No.: 4002-81-7
• Molecular Formula: C4H4Br2N2
• Molecular Weight: 239.897
• Hs Code.: 2933290090
• European Community (EC) Number: 869-911-6
• DSSTox Substance ID: DTXSID20378410
• Nikkaji Number: J1.553.695K
• Wikidata: Q72464530
• Mol file: 4002-81-7.mol

Synonyms:4,5-Dibromo-2-methylimidazole;4002-81-7;4,5-dibromo-2-methyl-1H-imidazole;SCHEMBL888981;4,5-Dibromo-2-methylimidazol;DTXSID20378410;DBFMQNPRKMLHLK-UHFFFAOYSA-N;2-Methyl-4,5-dibromo-1H-imidazole;BBL028841;MFCD00649915;STL226883;AKOS000447056;AB06612;AC-27293;VS-08992;4,5-bis(bromanyl)-2-methyl-1H-imidazole;CS-0112306;FT-0646186;EN300-196841;F71325;A824859

Chemical Property of 4,5-Dibromo-2-methylimidazole

Chemical Property:

• Appearance/Colour: crystal
• Vapor Pressure: 3.86E-06mmHg at 25°C
• Melting Point: 228-234 °C
• Refractive Index: 1.629
• Boiling Point: 396.6 °C at 760 mmHg
• Flash Point: 193.7 °C
• PSA: 28.68000
• Density: 2.188 g/cm³
• LogP: 2.24310
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• 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-2-methylimidazole ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(N1)Br)Br

Technology Process of 4,5-Dibromo-2-methylimidazole

There total 5 articles about 4,5-Dibromo-2-methylimidazole 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: 71.0%

2-methylimidazole (693-98-1) → 4,5-Dibromo-2-methylimidazole (4002-81-7) + 4-bromo-2-methyl-1H-imidazole (16265-11-5)

Guidance literature:

With potassium (aquo)(2?chlorobenzoato)oxodiperoxo–tungstate(VI) dihydrate; potassium bromide; In water; acetonitrile; at 20 ℃;

DOI:10.1007/s00706-019-02435-1

Reference yield: 65.0%

2-methylimidazole (693-98-1) → 4,5-Dibromo-2-methylimidazole (4002-81-7)

Guidance literature:

With bromine; potassium hydrogencarbonate; N,N-dimethyl-formamide; In N,N-dimethyl-formamide; at 0 - 100 ℃; for 3h;

DOI:10.1016/j.tetlet.2006.01.066

Reference yield:

2-methylimidazole (693-98-1) → 4,5-Dibromo-2-methylimidazole (4002-81-7) + 5-bromo-2-methyl-1H-imidazole (16265-11-5,123845-05-6)

Guidance literature:

With N-Bromosuccinimide; potassium carbonate; In ethyl acetate; at 20 ℃; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.04.094

upstream raw materials:

2-methylimidazole

2-methyl-1⁽³⁾H-imidazole-4-sulfonic acid

Downstream raw materials:

5-bromo-2-methyl-1H-imidazole

4-bromo-2-methyl-1H-imidazole

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

4,5-dibromo-2-methyl-1-methylimidazole

Refernces

• 1、 -. "BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS". Page/Page column 200; 204-205. . Retrieved 2021/04/17.
• 2、 Loubidi,Pillard,El Hakmaoui,Bernard,Akssira,Guillaumet. "A new synthetic approach to the imidazo[1,5-: A] imidazole-2-one scaffold and effective functionalization through Suzuki-Miyaura cross coupling reactions". . p. 7229 - 7238. Retrieved 2016/07/14.