Isobutyl benzenesulfonate

Base Information

Chemical Name:Isobutyl benzenesulfonate
CAS No.:24698-43-9
Molecular Formula:C10H14 O3 S
Molecular Weight:214.285
Hs Code.:2905199090
DSSTox Substance ID:DTXSID30947636
Wikidata:Q82925443
Mol file:24698-43-9.mol

Synonyms:Isobutyl benzenesulfonate;24698-43-9;2-methylpropyl benzenesulfonate;CCRIS 9154;Benzenesulfonic acid isobutyl ester;UNII-FF97SL9332;CCRIS 9152;FF97SL9332;Benzenesulfonic acid, isobutyl ester;isobutyl phenylsulfonate;i-butyl benzene sulfonate;SCHEMBL776370;DTXSID30947636;NFRRFEFZKGNYKS-UHFFFAOYSA-N;Benzenesulfonicacid,2-methylpropyl ester;Benzenesulfonicacid, 2-methylpropyl ester;LS-182310

Suppliers and Price of Isobutyl benzenesulfonate

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 Isobutyl benzenesulfonate

Chemical Property:

Vapor Pressure:0.003mmHg at 25°C
PSA：51.75000
LogP:3.12870
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:214.06636548
Heavy Atom Count:14
Complexity:245

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)COS(=O)(=O)C1=CC=CC=C1
Uses Isobutyl Benzenesulfonate is an intermediate of Febuxostat(F229000) which is an xanthine oxidase/xanthine dehydrogenase inhibitor. Used for treatment of hyperuricemia and chronic gout. 40-120 mg/day febuxostat was proven effective in lowering serum urate levels when administered to manage hyperuricemia in patients with gout.

Technology Process of Isobutyl benzenesulfonate

There total 3 articles about Isobutyl benzenesulfonate 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: 92.2%

: 78-83-1
2-methyl-propan-1-ol

: 98-09-9
benzenesulfonyl chloride

: 24698-43-9
isobutyl benzenesulfonate

Guidance literature:: With triethylamine; In toluene; at 0 - 10 ℃;

Reference yield:

: 934534-79-9
iso-butyl 2-bromobenzenesulfonate

: 1083004-75-4
(S)-N₁-(2,6-diethylphenyl)-2-phenylethane-1,2-diamine

: 1083004-76-5
(S)-isobutyl 2-(2-(2,6-diethylphenylamino)-1-phenylethylamino)benzenesulfonate

: 24698-43-9
isobutyl benzenesulfonate

Guidance literature:: iso-butyl 2-bromobenzenesulfonate; With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; Reflux;

(S)-N₁-(2,6-diethylphenyl)-2-phenylethane-1,2-diamine; In tetrahydrofuran; at 66 ℃; for 15h;
DOI:10.1002/anie.200802910