1-Butyl-1-methylpiperidinium Bromide

Base Information

• Chemical Name: 1-Butyl-1-methylpiperidinium Bromide
• CAS No.: 94280-72-5
• Molecular Formula: C10H22BrN
• Molecular Weight: 0
• Hs Code.: 2933399090
• European Community (EC) Number: 801-429-3
• ChEMBL ID: CHEMBL3187783
• DSSTox Substance ID: DTXSID9049378
• Mol file: 94280-72-5.mol

Synonyms:1-Butyl-1-methylpiperidinium Bromide;94280-72-5;N-butyl-N-methyl-piperidinium bromide;1-BUTYL-1-METHYLPIPERIDIN-1-IUM BROMIDE;1-butyl-1-methylpiperidin-1-ium;bromide;Piperidinium, 1-butyl-1-methyl-, bromide;DTXSID9049378;MFCD11870112;N-butyl,methyl-piperidinium bromide;C10H22BrN;SCHEMBL8512450;CHEMBL3187783;DTXCID6029337;N-Ethyl,methylpiperidinium Bromide;N-ethyl,methyl-piperidinium bromide;N-butyl-N-methyl-piperidiniumbromide;N-Butyl-N-methylpiperidinium bromide;N-propyl,methyl-piperidinium bromide;Tox21_202664;1-butyl-1-methyl piperidinium bromide;AKOS015833016;HY-W099790;NCGC00260212-01;AS-62593;SY060061;CAS-94280-72-5;DB-363489;B3424;CS-0152432;1-Butyl-1-methylpiperidinium Bromide PP1,4Br;D70798;A916766

Chemical Property of 1-Butyl-1-methylpiperidinium Bromide

Chemical Property:

• Melting Point: 230°C(lit.)
• PSA: 0.00000
• LogP: -0.62020
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 235.09356
• Heavy Atom Count: 12
• Complexity: 103

Purity/Quality:

97% ^*data from raw suppliers

1-Butyl-1-methylpiperidinium Bromide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1(CCCCC1)C.[Br-]

Technology Process of 1-Butyl-1-methylpiperidinium Bromide

There total 5 articles about 1-Butyl-1-methylpiperidinium 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: 97.0%

N-methylcyclohexylamine (626-67-5) + 1-bromo-butane (109-65-9) → 1-n-butyl-1-methylpiperidin-1-ium bromide (94280-72-5)

Guidance literature:

In acetonitrile; Inert atmosphere; Cooling with ice; Reflux;

DOI:10.1039/c5cp07160g

Reference yield: 90.0%

N-methylcyclohexylamine (626-67-5) + tributylphosphine (998-40-3) → 1-n-butyl-1-methylpiperidin-1-ium bromide (94280-72-5)

Guidance literature:

at 89.84 - 99.84 ℃; for 48h; Inert atmosphere;

DOI:10.1246/BCSJ.20200198

Reference yield: 81.0%

1-Methylpyrrolidine (120-94-5) + 1-bromo-butane (109-65-9) → 1-n-butyl-1-methylpiperidin-1-ium bromide (94280-72-5)

Guidance literature:

In acetonitrile; at 65 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.tetlet.2021.153500

upstream raw materials:

N-methylcyclohexylamine

1-bromo-butane

1-butyl-piperidine

dimethyl sulfoxide

Downstream raw materials:

1-butyl-1-methylpiperidinium trifluoromethanesulfonate

1-butyl-1-methylpiperidinium hexafluorophosphate