1,1,1-Trifluoropropan-2-yl 4-methylbenzene-1-sulfonate

Base Information

Chemical Name:1,1,1-Trifluoropropan-2-yl 4-methylbenzene-1-sulfonate
CAS No.:6189-13-5
Molecular Formula:C₁₀H₁₁F₃O₃S
Molecular Weight:268.257
Hs Code.:
DSSTox Substance ID:DTXSID60558537

Synonyms:6189-13-5;1,1,1-TRIFLUOROPROPAN-2-YL 4-METHYLBENZENESULFONATE;1,1,1-Trifluoropropan-2-yl 4-methylbenzene-1-sulfonate;SCHEMBL19520992;DTXSID60558537;DDSKJYCFYZVYTN-UHFFFAOYSA-N;EN300-7066138;A833470

Suppliers and Price of 1,1,1-Trifluoropropan-2-yl 4-methylbenzene-1-sulfonate

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 2 raw suppliers

Chemical Property of 1,1,1-Trifluoropropan-2-yl 4-methylbenzene-1-sulfonate

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:268.03809987
Heavy Atom Count:17
Complexity:337

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(F)(F)F

Technology Process of 1,1,1-Trifluoropropan-2-yl 4-methylbenzene-1-sulfonate

There total 1 articles about 1,1,1-Trifluoropropan-2-yl 4-methylbenzene-1-sulfonate 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: 95.9%

: 374-01-6
1,1,1-trifluoroisopropanol

: 98-59-9
p-toluenesulfonyl chloride

: 58219-97-9,6189-13-5
1,1,1-trifluoropropan-2-yl 4-methylbenzenesulfonate

Guidance literature:: With triethylamine; In 1,2-dichloro-ethane; at 50 ℃; for 3h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 93.3%

: 58219-97-9,6189-13-5
1,1,1-trifluoropropan-2-yl 4-methylbenzenesulfonate

: 421-49-8,779303-24-1
2,2,2-Trifluoro-1-methylethanamine

Guidance literature:: With potassium tert-butylate; ammonia; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 6h; under 3750.38 Torr; Temperature; Solvent; Time; Reagent/catalyst; Pressure;

Reference yield: 83.0%

: 58219-97-9,6189-13-5
1,1,1-trifluoropropan-2-yl 4-methylbenzenesulfonate

: 1350432-91-5
1,1-difluoroprop-1-en-2-yl 4-methylbenzenesulfonate

Guidance literature:: 1,1,1-trifluoropropan-2-yl 4-methylbenzenesulfonate; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃;

With water; In tetrahydrofuran; hexane; at -78 - 20 ℃;
DOI:10.1039/c1cc15342k