Dibenzothiophene sulfone

Base Information

• Chemical Name: Dibenzothiophene sulfone
• CAS No.: 1016-05-3
• Molecular Formula: C12H8O2S
• Molecular Weight: 216.26
• Hs Code.: 29309090
• European Community (EC) Number: 213-805-9
• NSC Number: 627707,406519
• UNII: 4D7K6K33UY
• DSSTox Substance ID: DTXSID5074424
• Nikkaji Number: J1.064.007E,J7.220F
• Wikidata: Q27105129
• Mol file: 1016-05-3.mol

Synonyms:DBT-5,5-dioxide;dibenzothiophene-5,5-dioxide

Chemical Property of Dibenzothiophene sulfone

Chemical Property:

• Appearance/Colour: white to yellow crystalline powder
• Vapor Pressure: 6.03E-07mmHg at 25°C
• Melting Point: 231-233 °C(lit.)
• Refractive Index: 1.675
• Boiling Point: 422.2 °C at 760 mmHg
• Flash Point: 275.7 °C
• PSA: 42.52000
• Density: 1.396 g/cm³
• LogP: 3.58060
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 216.02450067
• Heavy Atom Count: 15
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

Dibenzothiophene 5,5-Dioxide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2(=O)=O

Technology Process of Dibenzothiophene sulfone

There total 36 articles about Dibenzothiophene sulfone 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: 100.0%

butyl sulfoxide (2168-93-6) → dibenzothiophene sulfone (1016-05-3)

Guidance literature:

With iodosylbenzene; In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1002/asia.201200422

Reference yield: 99.0%

[1,1′-biphenyl]-2-sulfonyl azide (40182-14-7) → dibenzothiophene sulfone (1016-05-3)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 25 ℃; for 3h; regiospecific reaction;

DOI:10.1021/acs.joc.8b03046

Reference yield: 86.0%

dibenzothiophene (132-65-0) → Dibenzothiophene sulfoxide (1013-23-6) + dibenzothiophene sulfone (1016-05-3)

Guidance literature:

With dihydrogen peroxide; C₁₅H₃₀N₅O₁₀Ta; In methanol; water; at 45 ℃; for 5h; Catalytic behavior; Inert atmosphere; Sealed tube;

DOI:10.1016/j.mcat.2021.111972

upstream raw materials:

n-butyllithium

diethyl ether

thianthrene-5,5,10-trioxide

2-phenylbenzenesulfonyl chloride

Downstream raw materials:

biphenyl

2-phenylbenzenethiol

3,7-dibromodibromodibenzo[b,d]thiophene

Dibenzothiophene sulfoxide

Refernces

• 1、 Kong, Yang,Li, Jie,Markó, István E.,Shi, Wenjun,Zhou, Xinrui. "Unique Thia-Baeyer–Villiger-Type Oxidation of Dibenzothiophene Sulfoxides Derivatives". . . Retrieved 2020.
• 2、 Wang, Rui,Zhang, Gaofei,Zhao, Haixia. "Polyoxometalate as effective catalyst for the deep desulfurization of diesel oil". . p. 117 - 121. Retrieved 2010.
• 3、 Wang, Rui,Yu, Fengli,Zhang, Gaofei,Zhao, Haixia. "Performance evaluation of the carbon nanotubes supported Cs2.5H0.5PW12O40 as efficient and recoverable catalyst for the oxidative removal of dibenzothiophene". . p. 37 - 41. Retrieved 2010.
• 4、 Varma, Rajender S.,Saini, Rajesh K.,Meshram, Harshadas M.. "Selective oxidation of sulfides to sulfoxides and sulfones by microwave thermolysis on wet silica-supported sodium periodates". . p. 6525 - 6528. Retrieved 1997.
• 5、 Balicki, Roman,Kaczmarek, Lukasz,Nantka-Namirski, Pawel. "H2O2 - Urea/Phthalic Anhydride System - Convenient Reagent for the Mild and Efficient Preparation of Sulfones from Organic Sulfides". . p. 209 - 210. Retrieved 1993.
• 6、 Chang, Jie,Wang, Anjie,Liu, Jing,Li, Xiang,Hu, Yongkang. "Oxidation of dibenzothiophene with cumene hydroperoxide on MoO3/SiO2 modified with alkaline earth metals". . p. 122 - 126. Retrieved 2010.
• 7、 Rafiee, Ezzat,Khodayari, Maryam. "Synthesis and characterization of PMoV/Fe3O4/g-C3N4 from melamine: An industrial green nanocatalyst for deep oxidative desulfurization". . p. 458 - 468. Retrieved 2017.
• 8、 Cravotto, Giancarlo,Garella, Davide,Carnaroglio, Diego,Gaudino, Emanuela Calcio,Rosati, Ornelio. "Solvent-free chemoselective oxidation of thioethers and thiophenes by mechanical milling". . p. 11632 - 11634,3. Retrieved 2012.
• 9、 Teodoro, Rodrigo,Scheunemann, Matthias,Deuther-Conrad, Winnie,Wenzel, Barbara,Fasoli, Francesca Maria,Gotti, Cecilia,Kranz, Mathias,Donat, Cornelius K.,Patt, Marianne,Hillmer, Ansel,Zheng, Ming-Qiang,Peters, Dan,Steinbach, J?rg,Sabri, Osama,Huang, Yiyun,Brust, Peter. "A promising PET tracer for imaging of α7 nicotinic acetylcholine receptors in the brain: Design, synthesis, and in vivo evaluation of a dibenzothiophene-based radioligand". . p. 18387 - 18421. Retrieved 2015.
• 10、 Pant, Deeptiraj,Thakur, Ramswaroop Singh,Lal, Sunder. "Catalytic performance of ammonium salt of molybdenum heteropoly acid supported silica for oxidative desulfurization of benzothiophene, dibenzothiophene and 4,6-dimethyldibenzothiophene in model oil". . p. 1723 - 1727. Retrieved 2017.