2,3,5,6-Tetraphenyl-1,4-dithiine

Base Information

• Chemical Name: 2,3,5,6-Tetraphenyl-1,4-dithiine
• CAS No.: 23181-79-5
• Molecular Formula: C28H20 S2
• Molecular Weight: 420.599
• NSC Number: 161120
• DSSTox Substance ID: DTXSID60303781
• Nikkaji Number: J1.675.398J
• Wikidata: Q82049240
• Mol file: 23181-79-5.mol

Synonyms:23181-79-5;2,3,5,6-tetraphenyl-1,4-dithiine;NSC161120;tetraphenyl-p-di-thiin;DTXSID60303781;NSC-161120

Chemical Property of 2,3,5,6-Tetraphenyl-1,4-dithiine

Chemical Property:

• Vapor Pressure: 6.23E-13mmHg at 25°C
• Boiling Point: 582.1°C at 760 mmHg
• Flash Point: 311.5°C
• Density: 1.234g/cm³
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 420.10064299
• Heavy Atom Count: 30
• Complexity: 513

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(SC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of 2,3,5,6-Tetraphenyl-1,4-dithiine

There total 17 articles about 2,3,5,6-Tetraphenyl-1,4-dithiine 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: 72.0%

3-methylsulfanyl-5,6-diphenyl-[1,4,2]dithiazine (59103-08-1) → methyl thiocyanate (556-64-9) + 2,3,5,6-tetraphenyl-1,4-dithia-2,5-cyclohexadiene (23181-79-5) + diphenyl acetylene (501-65-5)

Guidance literature:

In dichloromethane; for 4h; Irradiation;

Reference yield: 48.0%

bis(dithiobenzyl)nickel → 2,3,5,6-tetraphenyl-1,4-dithia-2,5-cyclohexadiene (23181-79-5)

Guidance literature:

In chloroform; for 48h; Irradiation;

DOI:10.3987/com-01-9410

Reference yield: 18.0%

2,5-diphenyl-1,3-dithiolylium-4-olate (20850-89-9) → tetraphenylthiophene (1884-68-0) + 2,3,5,6-tetraphenyl-1,4-dithia-2,5-cyclohexadiene (23181-79-5) + diphenyl acetylene (501-65-5)

Guidance literature:

In benzene; at 25 - 28 ℃; for 8h; Irradiation;

upstream raw materials:

4,5-diphenyl-1,2,3-thiadiazole

2-hydroxy-2-phenylacetophenone

3-methylsulfanyl-5,6-diphenyl-[1,4,2]dithiazine

2,5-diphenyl-1,3-dithiolylium-4-olate

Downstream raw materials:

tetraphenylthiophene

2,3,4,5-tetraphenylthiophene 1,1-dioxide

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