3,5-Di-tert-butylphenyl trifluoromethanesulfonate

Base Information

Chemical Name:3,5-Di-tert-butylphenyl trifluoromethanesulfonate
CAS No.:155064-25-8
Molecular Formula:C15H21 F3 O3 S
Molecular Weight:338.391
Hs Code.:
European Community (EC) Number:622-842-3
DSSTox Substance ID:DTXSID50565755
Nikkaji Number:J2.547.853C
Wikidata:Q82451006
Mol file:155064-25-8.mol

Synonyms:155064-25-8;3,5-Di-tert-butylphenyl trifluoromethanesulfonate;(3,5-ditert-butylphenyl) trifluoromethanesulfonate;3,5-Bis(2-Methyl-2-Propanyl)Phenyl Trifluoromethanesulfonate;3,5-Di-tert-butylphenyl trifluoromethan;SCHEMBL1723540;DTXSID50565755;3,5-di-tert-butylphenyl triflate;AKOS015916370;3,5-Di-tert-butylphenyl trifluoromethanesulfonate, 97%

Suppliers and Price of 3,5-Di-tert-butylphenyl trifluoromethanesulfonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 3,5-Di-tert-butylphenyl trifluoromethanesulfonate

Chemical Property:

Melting Point:24-29 °C(lit.)
Boiling Point:327.2±42.0 °C(Predicted)
Flash Point:>230 °F
PSA：51.75000
Density:1.190±0.06 g/cm3(Predicted)
LogP:5.59080
XLogP3:6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:338.11635019
Heavy Atom Count:22
Complexity:456

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=CC(=C1)OS(=O)(=O)C(F)(F)F)C(C)(C)C

Technology Process of 3,5-Di-tert-butylphenyl trifluoromethanesulfonate

There total 2 articles about 3,5-Di-tert-butylphenyl trifluoromethanesulfonate 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: 100.0%

: 358-23-6
trifluoromethylsulfonic anhydride

: 1138-52-9
3,5-Di-tert-butylphenol

: 155064-25-8
3,5-bis(1,1-dimethylethyl)phenyl trifluoromethanesulfonate

Guidance literature:: With pyridine; at 0 - 20 ℃;

Reference yield: 98.0%

: 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide

: 1138-52-9
3,5-Di-tert-butylphenol

: 155064-25-8
3,5-bis(1,1-dimethylethyl)phenyl trifluoromethanesulfonate

Guidance literature:: With triethylamine; In dichloromethane; for 48h;
DOI:10.1016/j.bmcl.2004.08.072

Reference yield: 99.0%

: 155064-25-8
3,5-bis(1,1-dimethylethyl)phenyl trifluoromethanesulfonate

: 1066-54-2
trimethylsilylacetylene

: 151417-34-4
[[3,5-bis(1,1-dimethylethyl)phenyl]ethynyl]trimethylsilane

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; triethylamine; In N,N-dimethyl-formamide; at 50 ℃;
DOI:10.1016/S0040-4020(03)00827-5