Disulfide, bis(2,4-dimethylphenyl)

Base Information

• Chemical Name: Disulfide, bis(2,4-dimethylphenyl)
• CAS No.: 13616-83-6
• Molecular Formula: C16H18 S2
• Molecular Weight: 274.451
• Hs Code.: 2930909090
• European Community (EC) Number: 237-101-6
• UNII: 534Y509F25
• DSSTox Substance ID: DTXSID0065561
• Nikkaji Number: J141.597B
• Wikidata: Q27896341
• Mol file: 13616-83-6.mol

Synonyms:13616-83-6;Dixylyl disulphide;Disulfide, bis(2,4-dimethylphenyl);2,4-Xylyl disulfide;Bis(2,4-xylyl) disulfide;DIXYLYLDISULPHIDE;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;dixylyl disulfide;Disulfide,bis(2,4-dimethylphenyl);EINECS 237-101-6;1,2-bis(2,4-dimethylphenyl)disulfane;Di(2,4-xylyl) disulphide;534Y509F25;Di(2,4-xylyl)disulphide;Bis(2,4-xylyl) persulfide;SCHEMBL576257;DTXSID0065561;UNII-534Y509F25;AKOS028108525;BS-53300;F75563;EN300-18564213;J-520407;Q27896341

Chemical Property of Disulfide, bis(2,4-dimethylphenyl)

Chemical Property:

• Vapor Pressure: 3.39E-05mmHg at 25°C
• Melting Point: 265 °C
• Boiling Point: 365.1°Cat760mmHg
• Flash Point: 174.6°C
• PSA: 50.60000
• Density: 1.13g/cm³
• LogP: 5.71960
• Storage Temp.: -20°C, Inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 274.08499292
• Heavy Atom Count: 18
• Complexity: 228

Purity/Quality:

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

1,2-Bis(2,4-dimethylphenyl)disulfane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C)C)C
• Uses: Bis(2,4-dimethylphenyl) Disulfide is an impurity of Vortioxetine Hydrobromide (V766000), a multimodal serotonergic agent that inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT (1,2,3). Bis(2,4-dimethylphenyl) Disulfide used as a reactant in the preparation of vortioxetine salts using a new synthetic path.

Technology Process of Disulfide, bis(2,4-dimethylphenyl)

There total 14 articles about Disulfide, bis(2,4-dimethylphenyl) 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%

2,4-dimethyl-thiophenol (13616-82-5) → 1,2-bis(2,4-dimethylphenyl)disulfane (13616-83-6)

Guidance literature:

With (tetrabenzoporphinato)iron(II); In tetrahydrofuran; at 20 ℃; for 0.333333h; under 760.051 Torr;

DOI:10.1039/c8ob00908b

Reference yield: 88.0%

2,4-dimethyl-thiophenol (13616-82-5) + Dimethyl phosphite (868-85-9) → 1,2-bis(2,4-dimethylphenyl)disulfane (13616-83-6) + O,O-dimethyl S-(2,4-dimethylphenyl)phosphorothioate (1616795-41-5)

Guidance literature:

With 1,3-dichloro-5,5-dimethylhydantoin; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tet.2015.12.020

Reference yield: 83.0%

bis(2-methoxyethyl) phosphonate (6163-85-5) + 2,4-dimethyl-thiophenol (13616-82-5) → 1,2-bis(2,4-dimethylphenyl)disulfane (13616-83-6) + S-(2,4-dimethylphenyl) O,O-bis(2-methoxyethyl) thiophosphate

Guidance literature:

With 1,3-dichloro-5,5-dimethylhydantoin; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tet.2015.12.020

upstream raw materials:

2,4-dimethyl-thiophenol

2,4-dimethylbenzenesulfonic acid

2,4-dimethylbenzenesulfonyl chloride

m-xylene-4-sulfonic acid, potassium salt

Downstream raw materials:

1,4-bis(2,4-dimethylphenylthio)-2,3,5,6-tetrafluorobenzene

(2,4-dimethylphenyl)(perfluorophenyl)sulfane

1,3-dimethyl-4-thiocyanatobenzene

2,4-dimethyl-thiophenol