4-Bromo-2-methyl-1H-imidazole

Base Information

• Chemical Name: 4-Bromo-2-methyl-1H-imidazole
• CAS No.: 16265-11-5
• Molecular Formula: C4H5 Br N2
• Molecular Weight: 161.001
• Hs Code.: 2933290090
• European Community (EC) Number: 690-846-2
• DSSTox Substance ID: DTXSID50378322
• Nikkaji Number: J304.596J
• Wikidata: Q72447164
• Mol file: 16265-11-5.mol

Synonyms:16265-11-5;4-Bromo-2-methylimidazole;4-Bromo-2-methyl-1H-imidazole;5-bromo-2-methyl-1H-imidazole;MFCD03411959;1H-Imidazole, 4-bromo-2-methyl-;1H-Imidazole, 5-bromo-2-methyl-;bromo-methyl imidazole;2-methyl-4-bromo imidazole;4-bromo-2-methyl-imidazole;SCHEMBL889081;2-Methyl-4-bromo-1H-imidazole;DTXSID50378322;APLZLUYWLINBOZ-UHFFFAOYSA-N;STR08068;FD7296;AKOS002657979;AKOS025394423;AB14336;PS-3314;AM803290;SY026643;A3618;CS-0018955;FT-0637346;EN300-107960;W-205908

Chemical Property of 4-Bromo-2-methyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 0.000257mmHg at 25°C
• Melting Point: 158-160°C
• Boiling Point: 333.9°Cat760mmHg
• PKA: 12.26±0.10(Predicted)
• Flash Point: 155.7°C
• PSA: 28.68000
• Density: 1.723g/cm³
• LogP: 1.48060
• Storage Temp.: Keep Cold
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 159.96361
• Heavy Atom Count: 7
• Complexity: 66.7

Purity/Quality:

99.5% ^*data from raw suppliers

4-Bromo-2-methylimidazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1)Br

Technology Process of 4-Bromo-2-methyl-1H-imidazole

There total 4 articles about 4-Bromo-2-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: 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:

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

Reference yield:

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

Guidance literature:

With sodium sulfite;

upstream raw materials:

4,5-Dibromo-2-methylimidazole

2-methylimidazole

Downstream raw materials:

5-bromo-1,2-dimethyl-1H-imidazole

4-bromo-1,2-dimethyl-1H-imidazole

C₁₂H₁₁BrN₂O₃

2-methyl-4-phenyl-1H-imidazole

Refernces

• 1、 Das, Nandita,Chowdhury, Shubhamoy,Purkayastha, Ranendra N. Dutta. "Peroxo–tungstate(VI) complexes: syntheses, characterization, reactivity, and DFT studies". . p. 1255 - 1266. Retrieved 2019/07/04.