Methanesulfonic acid, trifluoro-, hexyl ester

Base Information

• Chemical Name: Methanesulfonic acid, trifluoro-, hexyl ester
• CAS No.: 53059-88-4
• Molecular Formula: C7H13F3O3S
• Molecular Weight: 234.24
• DSSTox Substance ID: DTXSID50447300
• Wikidata: Q82266156
• Mol file: 53059-88-4.mol

Synonyms:Methanesulfonic acid, trifluoro-, hexyl ester;53059-88-4;hexyl trifluoromethanesulfonate;SCHEMBL1744340;DTXSID50447300

Chemical Property of Methanesulfonic acid, trifluoro-, hexyl ester

Chemical Property:

• Boiling Point: 64-65 °C(Press: 1 Torr)
• PSA: 51.75000
• Density: 1.246±0.06 g/cm3(Predicted)
• LogP: 3.51370
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 234.05374993
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOS(=O)(=O)C(F)(F)F

Technology Process of Methanesulfonic acid, trifluoro-, hexyl ester

There total 1 articles about Methanesulfonic acid, trifluoro-, hexyl ester 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: 21.0%

tetrabutylammonium trifluoromethylsulfonate (35895-70-6) + 1-Iodohexane (638-45-9) → 1-Chlorohexane (544-10-5) + hexyl triflate (53059-88-4)

Guidance literature:

With chlorine; In dichloromethane; at -78 ℃; for 0.1h;

DOI:10.1021/jo00211a017

Reference yield: 92.0%

hexyl triflate (53059-88-4) + 1-(4-nitrophenyl)-1H-naphtho<2,3-d><1,2,3>triazole-4,9-dione (132903-89-0) → 3-hexyl-1-(4-nitrophenyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-3-ium trifluoromethanesulfonate

Guidance literature:

In toluene; at 100 ℃;

DOI:10.1016/j.ejmech.2018.08.018

Reference yield: 92.0%

hexyl triflate (53059-88-4) + 1-[(3aR,6S,6aR)-6-Isopropyl-3,3-dimethyl-5-(toluene-4-sulfonyl)-hexahydro-pyrrolo[3,4-c]isoxazol-1-yl]-propan-1-one (190838-95-0) → (R)-1-[(3aR,6S,6aR)-6-Isopropyl-3,3-dimethyl-5-(toluene-4-sulfonyl)-hexahydro-pyrrolo[3,4-c]isoxazol-1-yl]-2-methyl-octan-1-one

Guidance literature:

With potassium hexamethylsilazane;

DOI:10.1016/S0040-4039(97)00580-7

upstream raw materials:

tetrabutylammonium trifluoromethylsulfonate

1-Iodohexane

Downstream raw materials:

1-Hexyl-4-vinylpyridinium Triflate

1-phenyl-2-methyl-1-octanone

2-Hexyl-2,6-dimethyl-cyclohexanone

2-Hexyl-3-methyl-cyclohexanon

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