N,N,N-Trihexylhexan-1-aminium methanesulfonate

Base Information

• Chemical Name: N,N,N-Trihexylhexan-1-aminium methanesulfonate
• CAS No.: 105140-20-3
• Molecular Formula: C24H52N.CH3O3S
• Molecular Weight: 449.783
• DSSTox Substance ID: DTXSID70549633
• Mol file: 105140-20-3.mol

Synonyms:105140-20-3;N,N,N-Trihexylhexan-1-aminium methanesulfonate;SCHEMBL330698;DTXSID70549633

Chemical Property of N,N,N-Trihexylhexan-1-aminium methanesulfonate

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 449.39026579
• Heavy Atom Count: 30
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CS(=O)(=O)[O-]

Technology Process of N,N,N-Trihexylhexan-1-aminium methanesulfonate

There total 11 articles about N,N,N-Trihexylhexan-1-aminium methanesulfonate 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%

propyl methanesulfonate (1912-31-8) + tetrahexylammonium bromide (4328-13-6) → Methanesulfonatetetrahexyl-ammonium; (105140-20-3) + propyl bromide (106-94-5)

Guidance literature:

In benzene; at 80 ℃;

Reference yield:

n-octyl methanesulfonate (16156-52-8) + tetrahexylammonium fluoride (37622-24-5) → 1-Fluoro-octane (463-11-6) + Methanesulfonatetetrahexyl-ammonium; (105140-20-3)

Guidance literature:

In chlorobenzene; at 60 ℃; Rate constant; Kinetics; var. solvent, temperature, hydration state of fluoride;

DOI:10.1021/jo00263a013

Reference yield:

n-octyl methanesulfonate (16156-52-8) + C24H52N(1+)*2FH*F(1-) → 1-Fluoro-octane (463-11-6) + C24H52N(1+)*4FH*F(1-) + Methanesulfonatetetrahexyl-ammonium; (105140-20-3)

Guidance literature:

In 1,2-dichloro-benzene; at 90 ℃; Rate constant;

DOI:10.1021/jo00263a013

upstream raw materials:

n-octyl methanesulfonate

tetra-n-hexylammonium benzoate

tetrahexylammonium fluoride

propyl methanesulfonate