1-Butyl-3-methylimidazolium bromide

Base Information

• Chemical Name: 1-Butyl-3-methylimidazolium bromide
• CAS No.: 85100-77-2
• Molecular Formula: C8H15N2^.Br
• Molecular Weight: 219.124
• Hs Code.: 29339900
• ChEMBL ID: CHEMBL3260220
• Mol file: 85100-77-2.mol

Synonyms:1H-Imidazolium,1-butyl-3-methyl-, bromide (9CI);1-Butyl-3-methyl-1H-imidazolium bromide;1-Methyl-3-butylimidazolium bromide;3-Butyl-1-methylimidazolium bromide;N-Butyl-N'-methylimidazolium bromide;

Chemical Property of 1-Butyl-3-methylimidazolium bromide

Chemical Property:

• Appearance/Colour: white crystals
• Melting Point: 65-75 °C
• PSA: 8.81000
• Density: 1.30 g/cm3(Temp: 25.1 °C)
• LogP: -1.88330
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Water Solubility.: Miscible in water, methanol and dichloromethane. Immiscible in acetone, toluene, ethyl acetate and diethyl ether.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 218.04186
• Heavy Atom Count: 11
• Complexity: 93.3

Purity/Quality:

99% ^*data from raw suppliers

1-Butyl-3-methylimidazolium bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C=C[N+](=C1)C.[Br-]
• Uses: It is an ionic liquid used in a Heck reaction. It is also used in assessing the factors responsible for ionic liquid toxicity to aquatic organisms via quantitative structure-property relationship modeling

Technology Process of 1-Butyl-3-methylimidazolium bromide

There total 3 articles about 1-Butyl-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: 96.0%

1-Butylimidazole (4316-42-1) + trimethyl orthoformate (149-73-5) → 1-n-butyl-3-methylimidazolim bromide (85100-77-2)

Guidance literature:

With ammonium bromide; at 110 ℃; for 22h; Inert atmosphere;

DOI:10.1039/c4gc00684d

Reference yield: 91.0%

1-Butylimidazole (4316-42-1) + methyl bromide (74-83-9) → 1-n-butyl-3-methylimidazolim bromide (85100-77-2)

Guidance literature:

In toluene; at 40 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.molcata.2014.01.016

Reference yield:

→ 1-n-butyl-3-methylimidazolim bromide (85100-77-2)

Guidance literature:

upstream raw materials:

1-Butylimidazole

methyl bromide

trimethyl orthoformate

Downstream raw materials:

1-butyl-3-methylimidazolium trifluoromethanesulfonimide

3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate

1-butyl-3-methylimidazolium nitrate

1-(n-butyl)-3-methylimidazolium triflate

Refernces

• 1、 Bala, Muhammad D.,Ikhile, Monisola I.. "Application of three-legged piano-stool cyclopentadienyl-N-heterocyclic carbene iron(II) complexes as in situ catalysts for the transfer hydrogenation of ketones". . p. 98 - 105. Retrieved 2014/03/21.
• 2、 -. "Method for producing haloalkanes from alcohols". . . Retrieved 2008/06/13.