Benzene, 1,2-bis[(phenylthio)methyl]-

Base Information

• Chemical Name: Benzene, 1,2-bis[(phenylthio)methyl]-
• CAS No.: 105961-94-2
• Molecular Formula: C20H18S2
• Molecular Weight: 322.495
• DSSTox Substance ID: DTXSID90456759
• Nikkaji Number: J583.982C
• Mol file: 105961-94-2.mol

Synonyms:105961-94-2;Benzene, 1,2-bis[(phenylthio)methyl]-;o-Bis(phenylthiomethyl)benzene;DTXSID90456759

Chemical Property of Benzene, 1,2-bis[(phenylthio)methyl]-

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 322.08499292
• Heavy Atom Count: 22
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCC2=CC=CC=C2CSC3=CC=CC=C3

Technology Process of Benzene, 1,2-bis[(phenylthio)methyl]-

There total 2 articles about Benzene, 1,2-bis[(phenylthio)methyl]- 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: 95.0%

thiophenol (108-98-5) + α,α'-dibromo-o-xylene (91-13-4) → 1,2-bis(phenylthiomethyl)benzene (105961-94-2)

Guidance literature:

thiophenol; With sodium hydroxide; In ethanol; water; for 0.5h; Inert atmosphere; Reflux;

α,α'-dibromo-o-xylene; In ethanol; for 1h; Inert atmosphere; Reflux;

DOI:10.1021/om500149n

Reference yield: 41.0%

o-Phthalaldehydbis-(diphenylmercaptal) (53480-97-0) → 1,2-bis(phenylthiomethyl)benzene (105961-94-2)

Guidance literature:

With titanocene(II) triethylphosphite complex; Dimethylphenylsilane;

DOI:10.1055/s-2007-984512

Reference yield: 92.0%

1,2-bis(phenylthiomethyl)benzene (105961-94-2) → 1-((R)-Benzenesulfinylmethyl)-2-((S)-benzenesulfinylmethyl)-benzene + 1,2-Bis-((S)-benzenesulfinylmethyl)-benzene

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; tetrabutyl-ammonium chloride; sodium hydrogencarbonate; potassium bromide; In dichloromethane; water; 0 deg C, 1 h, RT, 0.5 h;

DOI:10.1055/s-1994-25486

upstream raw materials:

thiophenol

α,α'-dibromo-o-xylene

o-Phthalaldehydbis-(diphenylmercaptal)

Downstream raw materials:

o-Phthalaldehydbis-(diphenylmercaptal)

cis-3a,4,9,9a-tetrahydronaphtho<2,3-c>furan-1,3-dione

1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylic acid anhydride

diphenyldisulfane