Methanesulfonic acid, trifluoro-, octyl ester

Base Information

• Chemical Name: Methanesulfonic acid, trifluoro-, octyl ester
• CAS No.: 71091-89-9
• Molecular Formula: C9H17F3O3S
• Molecular Weight: 262.293
• DSSTox Substance ID: DTXSID80446543
• Nikkaji Number: J1.147.567A
• Wikidata: Q82265224
• Mol file: 71091-89-9.mol

Synonyms:octyl trifluoromethanesulfonate;Octyl triflate;71091-89-9;Methanesulfonic acid, trifluoro-, octyl ester;trifluoro-methanesulfonic acid octyl ester;SCHEMBL902041;DTXSID80446543;n-octyl trifluoromethane sulfonate;AMY27758;Trifluoromethanesulfonic acid octyl ester

Chemical Property of Methanesulfonic acid, trifluoro-, octyl ester

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 262.08505006
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methanesulfonic acid, trifluoro-, octyl ester

There total 2 articles about Methanesulfonic acid, trifluoro-, octyl 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: 40.0%

octanol (111-87-5) + lithium trifluoromethanesulfonate (33454-82-9) → n-chlorooctane (111-85-3) + n-octyl triflate (71091-89-9)

Guidance literature:

With chlorine; sulfur;

DOI:10.1016/S0040-4039(00)95063-9

Reference yield: 11.0%

trans-2-chlorocyclohexanol (6628-80-4) → 1,2-dichlorocyclohexane (1121-21-7) + cis-2-chlorocyclohexyl perchlorate (81971-83-7) + n-octyl triflate (71091-89-9)

Guidance literature:

With lithium perchlorate; chlorine; sulfur;

DOI:10.1016/S0040-4039(00)95063-9

Reference yield: 98.0%

n-octyl triflate (71091-89-9) + N-(4-trifluoromethylphenyl)imidazole (25371-98-6) → 3-octyl-1-(4-(trifluoromethyl)phenyl)-1H-imidazol-3-ium trifluoromethanesulfonate

Guidance literature:

In dichloromethane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol503426f

upstream raw materials:

octanol

lithium trifluoromethanesulfonate

trans-2-chlorocyclohexanol

Downstream raw materials:

2,2'-Di-O-octyl-3,3'-di-O-hexadecamethylenedi-sn-glycerol 1,1'-bis(3'-nitrobenzenesulfonate)

(R)-4-(4-Bromo-benzyloxy)-5-((S)-1,2-dihydroxy-ethyl)-3-octyloxy-5H-furan-2-one

3-O-[(R)-3,7-dimethyloctyl]-2-O-octyl-1-O-(tert-butyldiphenylsilyl)-sn-glycerol

octanol

Refernces