1-Phenylthiolan-1-ium hexafluorophosphate

Base Information

• Chemical Name: 1-Phenylthiolan-1-ium hexafluorophosphate
• CAS No.: 82135-88-4
• Molecular Formula: C10H13F6PS
• Molecular Weight: 310.243
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10380067
• Mol file: 82135-88-4.mol

Synonyms:82135-88-4;1-phenylthiolan-1-ium hexafluorophosphate;phenyltetramethylenesulfonium hexafluorophosphate;1-phenylthiolan-1-ium;hexafluorophosphate;PHENYLTETRAMETHYLENESULFONIUMHEXAFLUOROPHOSPHATE;DTXSID10380067;AKOS025295789;FT-0676398;1-phenyltetrahydro-1H-thiophenium hexafluorophosphate(V);1-phenyl-1??-thiolan-1-ylium;hexafluoro-??-phosphanuide;1-Phenyl-tetrahydro-1H-thiophenium hexafluorophosphate(V)

Chemical Property of 1-Phenylthiolan-1-ium hexafluorophosphate

Chemical Property:

• PSA: 38.89000
• LogP: 5.84000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 310.03797756
• Heavy Atom Count: 18
• Complexity: 173

Purity/Quality:

98%Min ^*data from raw suppliers

Phenyltetramethylenesulfoniumhexafluorophosphate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC[S+](C1)C2=CC=CC=C2.F[P-](F)(F)(F)(F)F

Technology Process of 1-Phenylthiolan-1-ium hexafluorophosphate

There total 3 articles about 1-Phenylthiolan-1-ium hexafluorophosphate 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: 94.0%

4-phenylsulfanyl-1-bromobutane (17742-54-0) → phenyltetramethylenesulfonium hexafluorophosphate (82135-88-4)

Guidance literature:

With silver(I) hexafluorophosphate;

DOI:10.1021/ja00380a020

Reference yield: 32.0%

thiophene (110-01-0) + diphenyliodonium hexafluorophosphate (58109-40-3) → phenyltetramethylenesulfonium hexafluorophosphate (82135-88-4)

Guidance literature:

With Cu(PhCOO)2; at 80 ℃; for 18h;

DOI:10.1021/ol990069f

Reference yield:

1,4-dibromo-butane (110-52-1) + thiophenol (108-98-5) → phenyltetramethylenesulfonium hexafluorophosphate (82135-88-4)

Guidance literature:

With ammonium hexafluorophosphate; Multistep reaction; 1.) MTBE, 23 deg C, 2.) acetone, 23 deg C;

DOI:10.1021/ja9726926

upstream raw materials:

4-phenylsulfanyl-1-bromobutane

1,4-dibromo-butane

thiophenol

thiophene

Downstream raw materials:

4-Methylbiphenyl

(n-butylthio)benzene

1,8-bis(phenylthio)octane

Refernces

• 1、 Srogl, Jiri,Allred, Gary D.,Liebeskind, Lanny S.. "Sulfonium Salts. Participants par Excellence in Metal-Catalyzed Carbon-Carbon Bond-Forming Reactions". . p. 12376 - 12377. Retrieved 2007/10/03.