Methyltrioctylammonium trifluoroacetate

Base Information

• Chemical Name: Methyltrioctylammonium trifluoroacetate
• CAS No.: 121107-16-2
• Molecular Formula: C₂F₃O₂*C₂₅H₅₄N
• Molecular Weight: 481.726
• ChEMBL ID: CHEMBL3222021
• DSSTox Substance ID: DTXSID00563807
• NSC Number: 746787
• Mol file: 121107-16-2.mol

Synonyms:Methyltrioctylammonium trifluoroacetate;121107-16-2;methyl(trioctyl)azanium;2,2,2-trifluoroacetate;SCHEMBL357266;CHEMBL3222021;DTXSID00563807;NSC746787;AKOS015911385;NSC-746787;N-Methyl-N,N-dioctyloctan-1-aminium trifluoroacetate

Chemical Property of Methyltrioctylammonium trifluoroacetate

Chemical Property:

• PSA: 40.13000
• LogP: 7.81310
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 21
• Exact Mass: 481.41066445
• Heavy Atom Count: 33
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

METHYLTRIOCTYLAMMONIUM TRIFLUOROACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C(=O)(C(F)(F)F)[O-]

Technology Process of Methyltrioctylammonium trifluoroacetate

There total 4 articles about Methyltrioctylammonium trifluoroacetate 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%

N-methyl-N,N,N-trioctylammonium methylcarbonate (488711-07-5) + trifluoroacetic acid (76-05-1) → tricapryl-methyl-ammonium trifluoroacetate (121107-16-2)

Guidance literature:

at 50 ℃;

DOI:10.1002/chem.200901891

Reference yield:

sodium 2,2,2-trifluoroacetate (2923-18-4) + sodium salt of difluoroacetate (2218-52-2) + Aliquat 336 (5137-55-3,76925-99-0) → tricapryl-methyl-ammonium trifluoroacetate (121107-16-2) + N-methyl-N,N,N-trioctylammonium difluoroacetate (1204525-48-3)

Guidance literature:

With sodium chloride; In water; for 0.5h;

Reference yield:

silver trifluoroacetate (2966-50-9) + Aliquat 336 (5137-55-3,76925-99-0) → tricapryl-methyl-ammonium trifluoroacetate (121107-16-2)

Guidance literature:

In dichloromethane; water;

DOI:10.1039/c7nj00443e

upstream raw materials:

N-methyl-N,N,N-trioctylammonium methylcarbonate

trifluoroacetic acid

sodium 2,2,2-trifluoroacetate

sodium salt of difluoroacetate