1-Benzyl-3-methylimidazolium chloride

Base Information

• Chemical Name: 1-Benzyl-3-methylimidazolium chloride
• CAS No.: 36443-80-8
• Molecular Formula: C11H13ClN2
• Molecular Weight: 208.691
• Hs Code.: 2933290090
• European Community (EC) Number: 628-997-3
• DSSTox Substance ID: DTXSID8047929
• ChEMBL ID: CHEMBL3189006
• Mol file: 36443-80-8.mol

Synonyms:1-benzyl-3-methylimidazolium;1-benzyl-3-methylimidazolium chloride

Chemical Property of 1-Benzyl-3-methylimidazolium chloride

Chemical Property:

• Melting Point: 70 °C
• PSA: 8.81000
• LogP: -1.63510
• 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: 208.0767261
• Heavy Atom Count: 14
• Complexity: 152

Purity/Quality:

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

1-Benzyl-3-methylimidazolium Chloride ^*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)CC2=CC=CC=C2.[Cl-]

Technology Process of 1-Benzyl-3-methylimidazolium chloride

There total 3 articles about 1-Benzyl-3-methylimidazolium chloride 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: 99.0%

1-methyl-1H-imidazole (616-47-7) + benzyl chloride (100-44-7) → 1-benzyl-3-methylimidazolium chloride (36443-80-8)

Guidance literature:

at 100 ℃; Microwave irradiation;

DOI:10.1039/b807119e

Reference yield:

DBC (3459-92-5) + 1-methylimidazolium chloride (35487-17-3) → 1-benzyl-3-methylimidazolium chloride (36443-80-8)

Guidance literature:

at 169.84 ℃; for 8h; Autoclave; Neat (no solvent);

DOI:10.1246/cl.2010.1112

Reference yield:

→ 1-benzyl-3-methylimidazolium chloride (36443-80-8)

Guidance literature:

upstream raw materials:

1-methyl-1H-imidazole

benzyl chloride

DBC

1-methylimidazolium chloride

Downstream raw materials:

1-methyl-3-(phenylmethyl)-1H-imidazolium tetrafluoroborate

C₁₁H₁₃N₂O₃S⁽¹⁺⁾*HO₄S^(1-)

1-benzyl-3-methylimidazolium O,Se-dimethylphosphoroselenoate

1-benzyl-3-methylimidazolium O,S-dimethylphosphorothioate