Benzene, [[2-(phenylsulfonyl)ethyl]thio]-

Base Information

• Chemical Name: Benzene, [[2-(phenylsulfonyl)ethyl]thio]-
• CAS No.: 29290-71-9
• Molecular Formula: C14H14O2S2
• Molecular Weight: 278.396
• DSSTox Substance ID: DTXSID90353198
• Nikkaji Number: J949.428F
• Wikidata: Q82130669
• Mol file: 29290-71-9.mol

Synonyms:Benzene, [[2-(phenylsulfonyl)ethyl]thio]-;29290-71-9;2-(benzenesulfonyl)ethylsulfanylbenzene;phenyl 2-(phenylsulfanyl)ethyl sulfone;Maybridge4_002429;DTXSID90353198;HMS1527O09;Phenyl(2-(phenylsulfonyl)ethyl)sulfane;NCGC00176562-01;AQ-917/42754217;{[2-(BENZENESULFONYL)ETHYL]SULFANYL}BENZENE;BRD-K30909209-001-01-8

Chemical Property of Benzene, [[2-(phenylsulfonyl)ethyl]thio]-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 278.04352203
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCCS(=O)(=O)C2=CC=CC=C2

Technology Process of Benzene, [[2-(phenylsulfonyl)ethyl]thio]-

There total 6 articles about Benzene, [[2-(phenylsulfonyl)ethyl]thio]- 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: 99.0%

PVS (5535-48-8) + thiophenol (108-98-5) → 2-(phenylsulfanyl)ethyl phenyl sulfone (29290-71-9)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In ethanol; water; at 20 ℃; for 2h; Green chemistry;

DOI:10.1055/s-0033-1341106

Reference yield: 85.0%

C14H13BrO2S2 → 2-(phenylsulfanyl)ethyl phenyl sulfone (29290-71-9)

Guidance literature:

With methanol; triphenylphosphine; at 25 ℃;

DOI:10.1039/c39930001609

Reference yield:

Phenyl vinyl sulfoxide (20451-53-0) → 2-(phenylsulfanyl)ethyl phenyl sulfone (29290-71-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 30percent H₂O₂ / acetic acid / Ambient temperature

2: 96 percent / triethylamine / tetrahydrofuran / 4.5 h / Ambient temperature

With dihydrogen peroxide; triethylamine; In tetrahydrofuran; acetic acid;

DOI:10.1016/S0040-4039(00)99838-1

upstream raw materials:

2-chloroethyl phenyl sulfone

thiophenol

PVS

diphenyldisulfane

Downstream raw materials:

1,2-bis(phenylsulfonyl)ethane

2-(phenylsulfinyl)ethyl phenyl sulfone

(S)-methylphenylsulfoxide

(R)-methyl phenyl sulfoxide