4-(Triphenylphosphonio)butane-1-sulfonate

Base Information

• Chemical Name: 4-(Triphenylphosphonio)butane-1-sulfonate
• CAS No.: 164982-05-2
• Molecular Formula: C22H23O3PS
• Molecular Weight: 398.463
• European Community (EC) Number: 623-728-6
• DSSTox Substance ID: DTXSID00465993
• Wikidata: Q82292341
• Mol file: 164982-05-2.mol

Synonyms:4-(Triphenylphosphonio)butane-1-sulfonate;164982-05-2;4-triphenylphosphaniumylbutane-1-sulfonate;Phosphonium, triphenyl(4-sulfobutyl)-, inner salt;Triphenyl-(4-sulfo-butyl)-phosphonium inner salt;SCHEMBL17746597;DTXSID00465993;AKOS025294667;4-(Triphenylphosphonio)butane-1-sulfonate, 99%;J-010175

Chemical Property of 4-(Triphenylphosphonio)butane-1-sulfonate

Chemical Property:

• PSA: 96.89000
• LogP: 3.95120
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 398.11055276
• Heavy Atom Count: 27
• Complexity: 465

Purity/Quality:

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

4-(TRIPHENYLPHOSPHONIO)BUTANE-1-SULFONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 4018406
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[P+](CCCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3
• Uses: Reactant for synthesis of:Sulfonyl-functionalized ionic liquidsProstaglandins containing a sulfo group

Technology Process of 4-(Triphenylphosphonio)butane-1-sulfonate

There total 1 articles about 4-(Triphenylphosphonio)butane-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: 90.0%

1,4-butane sultone (1633-83-6) + triphenylphosphine (603-35-0) → 4-(triphenylphosphonio)butane-1-sulfonate (164982-05-2)

Guidance literature:

In toluene; for 12h; Reflux;

DOI:10.1002/cjoc.201090351

Reference yield: 100.0%

4-(triphenylphosphonio)butane-1-sulfonate (164982-05-2) → (4-sulfobutyl)-tris(4-sulfophenyl)phosphonium hydrogen sulfate

Guidance literature:

With sulfuric acid; at 80 - 150 ℃; for 12h;

DOI:10.1016/j.molliq.2011.06.013

Reference yield: 100.0%

4-(triphenylphosphonio)butane-1-sulfonate (164982-05-2) → C22H23O12PS4*HO4S(1-)

Guidance literature:

With sulfuric acid; at 80 - 150 ℃; for 12h;

DOI:10.1002/cjoc.201090351

upstream raw materials:

1,4-butane sultone

triphenylphosphine

Refernces

• 1、 Garcia-Suarez, Eduardo J.,Khokarale, Santosh G.,Van Buu, Olivier N.,Fehrmann, Rasmus,Riisager, Anders. "Pd-catalyzed ethylene methoxycarbonylation with Bronsted acid ionic liquids as promoter and phase-separable reaction media". . p. 161 - 166. Retrieved 2014.
• 2、 -. "Comprising zwitterionic and/or acid-functionalized ion liquid palladium catalyst system". Paragraph 0181-0184. . Retrieved 2017/01/26.