Benzo[b]thiophene 1,1-dioxide

Base Information

• Chemical Name: Benzo[b]thiophene 1,1-dioxide
• CAS No.: 825-44-5
• Molecular Formula: C8H6O2S
• Molecular Weight: 166.2
• Hs Code.: 29309099
• European Community (EC) Number: 212-544-8
• NSC Number: 82162
• UNII: JHF9X2MG7W
• DSSTox Substance ID: DTXSID00231796
• Nikkaji Number: J1.677.036A,J79.975K
• Wikidata: Q83112739
• ChEMBL ID: CHEMBL349894
• Mol file: 825-44-5.mol

Synonyms:benzothiophene 1,1-dioxide

Chemical Property of Benzo[b]thiophene 1,1-dioxide

Chemical Property:

• Appearance/Colour: White to cream colored powder
• Vapor Pressure: 2.25E-05mmHg at 25°C
• Melting Point: 138-142 °C
• Refractive Index: 1.64
• Boiling Point: 371.1 °C at 760 mmHg
• Flash Point: 244 °C
• PSA: 42.52000
• Density: 1.403 g/cm³
• LogP: 2.52540
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.00885060
• Heavy Atom Count: 11
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

Benzo[b]thiophene 1,1-dioxide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CS2(=O)=O

Technology Process of Benzo[b]thiophene 1,1-dioxide

There total 13 articles about Benzo[b]thiophene 1,1-dioxide 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%

Benzo[b]thiophene (95-15-8,11095-43-5) → benzothiophene-1,1-dioxide (825-44-5)

Guidance literature:

With dibenzo-18-crown-6; dihydrogen peroxide; In ethanol; at 45 ℃; for 18h;

DOI:10.1134/S0965544107030127

Reference yield: 85.0%

C8H8O3S → benzothiophene-1,1-dioxide (825-44-5)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at 10 - 20 ℃; for 5h;

Reference yield: 75.0%

Benzo[b]thiophene (95-15-8,11095-43-5) → benzothiophene-1,1-dioxide (825-44-5) + (+/-)-benzo[b]thiophene 1-oxide (51500-42-6)

Guidance literature:

With tert.-butylhydroperoxide; [Mo₂(O)₄{[2,2'-(1,3-phenylene)bis(4,5-dihydrooxazole-4,2-diyl)]dimethanol}(acac)₂]; In 1,2-dichloro-ethane; for 0.5h; Reflux;

DOI:10.1016/j.poly.2014.01.004

upstream raw materials:

Benzo[b]thiophene

water

dihydrogen peroxide

acetic acid

Downstream raw materials:

(+/-)-trans-2,3-dibromo-2,3-dihydro-benzo[b]thiophene-1,1-dioxide

3-phenylsulfanyl-2,3-dihydro-benzo[b]thiophene-1,1-dioxide

dimethyl 1,2-naphthalenedicarboxylate

naphthalene-1,2-dicarboxylic acid

Refernces

• 1、 Mao, Chunfeng,Zhao, Rongxiang,Li, Xiuping,Gao, Xiaohan. "Trifluoromethanesulfonic acid-based DESs as extractants and catalysts for removal of DBT from model oil". . p. 12805 - 12811. Retrieved 2017.
• 2、 Yu, Fengli,Wang, Rui. "Deep oxidative desulfurization of dibenzothiophene in simulated oil and real diesel using heteropolyanion-substituted hydrotalcite-like compounds as catalysts". . p. 13691 - 13704. Retrieved 2013.
• 3、 Xu, Junhua,Zhao, Shen,Chen, Wei,Wang, Miao,Song, Yu-Fei. "Highly efficient extraction and oxidative desulfurization system using Na7H2LaW10O36·32-H 2O in [bmim]BF4 at room temperature". . p. 4775 - 4781. Retrieved 2012.
• 4、 Yin, Jingmei,Wang, Jinping,Li, Zhuo,Li, Dan,Yang, Guang,Cui, Yingna,Wang, Ailing,Li, Changping. "Deep desulfurization of fuels based on an oxidation/extraction process with acidic deep eutectic solvents". . p. 4552 - 4559. Retrieved 2015.
• 5、 Wang, Xiaoting,Chen, Wei,Song, Yu-Fei. "Directional self-assembly of exfoliated layered europium hydroxide nanosheets and Na9EuW10O36·32H 2O for application in desulfurization". . p. 2779 - 2786. Retrieved 2014.
• 6、 Wang, Fang,Wang, Guangjian,Cui, Huijie,Sun, Wantang,Wang, Tangbo. "Preparation of metallophthalocyanine functionalized magnetic silica nanotubes and its application in ultrasound-assisted oxidative desulfurization of benzothiophene". . p. 181 - 186. Retrieved 2015.
• 7、 Chen, Yang,Zhao, Shen,Song, Yu-Fei. "An efficient heterogeneous catalyst based on highly dispersed Na 7H2LaW10O36·32H2O nanoparticles on mesoporous silica for deep desulfurization". . p. 307 - 314. Retrieved 2013.
• 8、 Xia, Lixin,Zhang, Hairan,Wei, Zhichao,Jiang, Yi,Zhang, Ling,Zhao, Jie,Zhang, Junhui,Dong, Li,Li, Erni,Ruhlmann, Laurent,Zhang, Qian. "Catalytic Emulsion Based on Janus Nanosheets for Ultra-Deep Desulfurization". . p. 1920 - 1929. Retrieved 2017.
• 9、 Tian, Yongsheng,Wang, Guanghui,Long, Juan,Cui, Jiawei,Jin, Wei,Zeng, Danlin. "Ultra-deep oxidative desulfurization of fuel with H2O2 catalyzed by phosphomolybdic acid supported on silica". . p. 2098 - 2105. Retrieved 2016.
• 10、 Sun, Lulu,Su, Ting,Xu, Jiajia,Hao, Dongmei,Liao, Weiping,Zhao, Yuchao,Ren, Wanzhong,Deng, Changliang,Lü, Hongying. "Aerobic oxidative desulfurization coupling of Co polyanion catalysts and: P -TsOH-based deep eutectic solvents through a biomimetic approach". . p. 2629 - 2634. Retrieved 2019.