3-(Triphenylphosphonio)propane-1-sulfonate

Base Information

• Chemical Name: 3-(Triphenylphosphonio)propane-1-sulfonate
• CAS No.: 116154-22-4
• Molecular Formula: C21H21 O3 P S
• Molecular Weight: 384.436
• European Community (EC) Number: 626-452-4
• DSSTox Substance ID: DTXSID50584188
• Wikidata: Q82475821
• Mol file: 116154-22-4.mol

Synonyms:3-(Triphenylphosphonio)propane-1-sulfonate;116154-22-4;3-triphenylphosphaniumylpropane-1-sulfonate;3-(TRIPHENYLPHOSPHONIO)PROPANE-1-SULFONA;Phosphonium, triphenyl(3-sulfopropyl)-, inner salt;SCHEMBL2922386;DTXSID50584188;MFCD07784455;AKOS015903855;SY330074;3-(Triphenylphosphaniumyl)propane-1-sulfonate;J-003391;3-(Triphenylphosphonio)propane-1-sulfonate, >=99.0% (HPLC)

Chemical Property of 3-(Triphenylphosphonio)propane-1-sulfonate

Chemical Property:

• PSA: 79.17000
• LogP: 3.99660
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 384.09490270
• Heavy Atom Count: 26
• Complexity: 451

Purity/Quality:

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

3-(Triphenylphosphonio)propane-1-sulfonate ≥99.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• 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+](CCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3
• Uses: 3-(Triphenylphosphonio)propane-1-sulfonate has been used as a zwitterion to study its effect on the work function of indium tin oxide (ITO) in inverted polymer solar cells (PSCs). It can be used in the preparation of triphenyl-(3-sulfopropyl)phosphonium phosphotungstate, an efficient green catalyst for esterification reactions.

Technology Process of 3-(Triphenylphosphonio)propane-1-sulfonate

There total 1 articles about 3-(Triphenylphosphonio)propane-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: 100.0%

1,3-propanesultone (1120-71-4) + triphenylphosphine (603-35-0) → 3-(triphenylphosphonio)propane-1-sulfonate (116154-22-4)

Guidance literature:

In toluene; for 12h; Reflux;

DOI:10.1007/BF03246570

Reference yield: 100.0%

3-(triphenylphosphonio)propane-1-sulfonate (116154-22-4) + bis(trifluoromethanesulfonyl)amide (82113-65-3) → triphenylphosphoniumpropanesulfonic acid bis(trifluoromethylsulfonyl)imide

Guidance literature:

In water; at 50 ℃; for 2h;

DOI:10.1039/c5cc02731d

Reference yield:

dodecatungstosilic acid + 3-(triphenylphosphonio)propane-1-sulfonate (116154-22-4) → 3H(1+)*O40SiW12(4-)*C21H22O3PS(1+)

Guidance literature:

In methanol; at 130 ℃; for 8h;

DOI:10.1007/s11696-019-00693-1

upstream raw materials:

1,3-propanesultone

triphenylphosphine

Refernces

• 1、 Shi, Yingxia,Liang, Xuezheng. "Robust acidic pseudo-ionic liquid catalyst with self-separation ability for esterification and acetalization". . p. 1413 - 1421. Retrieved 2019/05/04.
• 2、 Kamble, Sumit B.,Shinde, Suhas H.,Rode, Chandrashekhar V.. "Highly efficient triphenyl(3-sulfopropyl)phosphonium functionalized phosphotungstic acid on silica as a solid acid catalyst for selective mono-allylation of acetals". . p. 4039 - 4047. Retrieved 2015/08/03.