1-Butyl-1-methylpyrrolidinium iodide

Base Information

• Chemical Name: 1-Butyl-1-methylpyrrolidinium iodide
• CAS No.: 56511-17-2
• Molecular Formula: C9H20N.I
• Molecular Weight: 269.169
• UNII: 71Z1987V6X
• DSSTox Substance ID: DTXSID7047938
• Wikidata: Q27894577
• ChEMBL ID: CHEMBL3183082
• Mol file: 56511-17-2.mol

Synonyms:1-BUTYL-1-METHYLPYRROLIDINIUM IODIDE;56511-17-2;N-Butyl-N-methylpyrrolidinium iodide;1-butyl-1-methylpyrrolidin-1-ium;iodide;DTXSID7047938;71Z1987V6X;1-BUTYL-1-METHYLPYRROLIDIN-1-IUM IODIDE;Pyrrolidinium, 1-butyl-1-methyl-, iodide (1:1);SCHEMBL902544;CHEMBL3183082;DTXCID7027914;UNII-71Z1987V6X;Tox21_200615;MFCD11846110;NCGC00258169-01;CAS-56511-17-2;1-BUTYL-1-METHYLPYRROLIDIN-1-IUMIODIDE;Q27894577

Chemical Property of 1-Butyl-1-methylpyrrolidinium iodide

Chemical Property:

• PSA: 0.00000
• LogP: -1.01030
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 269.06405
• Heavy Atom Count: 11
• Complexity: 92.9

Purity/Quality:

98%Min ^*data from raw suppliers

1-Butyl-1-methylpyrrolidinium iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1(CCCC1)C.[I-]
• Uses: ? ;Hydrophobic ionic liquids for electrochemical applications1? ;Lewis-base ionic liquid2 Hydrophobic ionic liquids for electrochemical applicationsLewis-base ionic liquid

Technology Process of 1-Butyl-1-methylpyrrolidinium iodide

There total 3 articles about 1-Butyl-1-methylpyrrolidinium iodide 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-Methylpyrrolidine (120-94-5) + 1-iodo-butane (542-69-8) → 1-n-Butyl-1-methylpyrrolidinium iodide (56511-17-2)

Guidance literature:

In acetonitrile; at 70 ℃;

DOI:10.1021/jp984145s

Reference yield:

1-butylpyrrolidine (767-10-2) + methyl iodide (74-88-4) → 1-n-Butyl-1-methylpyrrolidinium iodide (56511-17-2)

Guidance literature:

With methanol;

DOI:10.1021/jo01371a002

Reference yield:

N-butylsuccinimide (3470-96-0) → 1-n-Butyl-1-methylpyrrolidinium iodide (56511-17-2)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium alanate; diethyl ether

2: methanol

With methanol; lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/jo01371a002

upstream raw materials:

1-butylpyrrolidine

methyl iodide

1-Methylpyrrolidine

1-iodo-butane

Downstream raw materials:

1-butyl-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide

1-butyl-1-methylpyrrolidinium dicyanamide