1-Allyl-3-methylimidazolium bromide

Base Information

• Chemical Name: 1-Allyl-3-methylimidazolium bromide
• CAS No.: 31410-07-8
• Molecular Formula: C7H11N2Br
• Molecular Weight: 203.082
• Hs Code.: 29332900
• European Community (EC) Number: 627-250-9
• DSSTox Substance ID: DTXSID00459418
• Mol file: 31410-07-8.mol

Synonyms:1-allyl-3-methylimidazolium;1-allyl-3-methylimidazolium bromide;1-allyl-3-methylimidazolium fluoride

Chemical Property of 1-Allyl-3-methylimidazolium bromide

Chemical Property:

• Melting Point: -52.5 °C
• Refractive Index: n20/D 1.578
• PSA: 8.81000
• LogP: -2.49740
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 202.01056
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

98%, ^*data from raw suppliers

1-Allyl-3-methylimidazolium bromide ≥97.0% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+]1=CN(C=C1)CC=C.[Br-]
• Uses: 1-Allyl-3-methylimidazolium bromide can be used to prepare:A weak gel of chitin.Composite gels of chitin/cellulose.Methylimidazolium based ionic liquids with varying anions as electrolytes in graphene?nanosheet-based?supercapacitors.

Technology Process of 1-Allyl-3-methylimidazolium bromide

There total 2 articles about 1-Allyl-3-methylimidazolium bromide 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: 100.0%

1-methyl-1H-imidazole (616-47-7) + allyl bromide (106-95-6) → 3-allyl-1-methyl-1H-imidazol-3-ium bromide (31410-07-8)

Guidance literature:

With sodium hydrogencarbonate; In acetonitrile; for 24h; Inert atmosphere;

DOI:10.1002/chem.201301896

Reference yield:

methyl bromide (74-83-9) + 1-allylimidazole (31410-01-2) → 3-allyl-1-methyl-1H-imidazol-3-ium bromide (31410-07-8)

Guidance literature:

In toluene; at 20 ℃;

DOI:10.1246/cl.2004.1360

Reference yield: 99.0%

3-allyl-1-methyl-1H-imidazol-3-ium bromide (31410-07-8) → [1-allyl-3-methyl-imidazol-2-ylidene]borane (1403777-45-6)

Guidance literature:

3-allyl-1-methyl-1H-imidazol-3-ium bromide; With sodium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

With borane-THF; In tetrahydrofuran; at -78 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.1021/ja309018f

upstream raw materials:

1-methyl-1H-imidazole

allyl bromide

methyl bromide

1-allylimidazole

Downstream raw materials:

C₇H₁₄BN₂O₂⁽¹⁺⁾*Br^(1-)

1-methyl-3-(2-propenyl)-2(3H)-imidazolethione

3-allyl-1-methylimidazolium octylsulfate