Butyl Triflate

Base Information

• Chemical Name: Butyl Triflate
• CAS No.: 75618-25-6
• Molecular Formula: C5H9 F3 O3 S
• Molecular Weight: 206.186
• Hs Code.: 29049090
• European Community (EC) Number: 678-525-5
• DSSTox Substance ID: DTXSID50448418
• Nikkaji Number: J1.120.034F
• Wikidata: Q82267396
• Mol file: 75618-25-6.mol

Synonyms:Butyl Triflate;75618-25-6;Butyl Trifluoromethanesulfonate;Methanesulfonic acid, trifluoro-, butyl ester;BUTYLTRIFLATE;SCHEMBL777643;DTXSID50448418;SEXLAQXMAFCJCO-UHFFFAOYSA-N;AKOS028108834;s12264;Trifluoromethanesulfonic Acid Butyl Ester;Trifluoro-methanesulfonic acid butyl ester;T2034

Chemical Property of Butyl Triflate

Chemical Property:

• Vapor Pressure: 2.615mmHg at 25°C
• Refractive Index: 1.383
• Boiling Point: 50 °C / 14.3mmHg
• Flash Point: 53.072°C
• PSA: 51.75000
• Density: 1.331g/cm³
• LogP: 2.73350
• Storage Temp.: Refrigerator
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 206.02244980
• Heavy Atom Count: 12
• Complexity: 213

Purity/Quality:

98%,99%, ^*data from raw suppliers

Butyl Trifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butyl Triflate

There total 4 articles about Butyl Triflate 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: 92.0%

trifluoromethylsulfonic anhydride (358-23-6) + butan-1-ol (71-36-3) → butyl triflate (75618-25-6)

Guidance literature:

With poly(vinylpyridine); In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1039/a908389h

Reference yield: 77.0%

1-bromo-butane (109-65-9) + silver trifluoromethanesulfonate (2923-28-6) → butyl triflate (75618-25-6)

Guidance literature:

In benzene; Product distribution; Mechanism; Heating; other bromo- and dibromoalkanes, other solvents, other temp., var. times;

DOI:10.1021/jo00370a009

Reference yield: 72.0%

butoxytrimethylsilane (1825-65-6) + trifluoromethylsulfonic anhydride (358-23-6) → butyl triflate (75618-25-6)

Guidance literature:

In dichloromethane; at 0 ℃; for 0.25h;

DOI:10.1055/s-1985-31336

upstream raw materials:

1-bromo-butane

silver trifluoromethanesulfonate

butoxytrimethylsilane

trifluoromethylsulfonic anhydride

Downstream raw materials:

1-Butyl-4-vinylpyridinium Triflate

Trifluoro-methanesulfonatebutyl-triphenyl-arsonium;

Butyl peroxybenzoate

1,4-dimethyl-2-butylbenzene