dihydrothiophen-3(2H)-one 1,1-dioxide

Base Information

• Chemical Name: dihydrothiophen-3(2H)-one 1,1-dioxide
• CAS No.: 17115-51-4
• Molecular Formula: C4H6O3S
• Molecular Weight: 134.156
• Hs Code.: 2934999090
• European Community (EC) Number: 836-970-4
• DSSTox Substance ID: DTXSID10408811
• Nikkaji Number: J340.541I
• Wikidata: Q82214413
• Mol file: 17115-51-4.mol

Synonyms:17115-51-4;dihydrothiophen-3(2H)-one 1,1-dioxide;1,1-dioxothiolan-3-one;Tetrahydrothiophene-3-oxo-1,1-dioxide;3-Oxotetrahydrothiophene 1,1-Dioxide;1lambda6-thiolane-1,1,3-trione;1,1-DIOXO-TETRAHYDRO-1LAMBDA*6*-THIOPHEN-3-ONE;MFCD00154869;dihydro-3(2H)-thiophenone 1,1-dioxide;3-Oxosulfolane;Dihydrothiophen-3(2H)-one1,1-dioxide;3-oxothiolane 1,1-dioxide;SCHEMBL561522;3-oxotetrahydrothiophene dioxide;DTXSID10408811;UOEHJNULMZMQNM-UHFFFAOYSA-N;CS1065;ZB0047;1lambda~6~-Thiolane-1,1,3-trione;AKOS001436191;SB11978;Tetrahydrothiophene-3-one-1,1-dioxide;tetrahydrothiophene-3-oxo-1, 1-dioxide;dihydrothiophen-3(2H)-one-1,1-dioxide;BS-12821;SY030209;3(2H)-Thiophenone, dihydro-, 1,1-dioxide;CS-0036770;FT-0727962;EN300-28283;A881949;Z56771224;F1294-0016

Chemical Property of dihydrothiophen-3(2H)-one 1,1-dioxide

Chemical Property:

• Vapor Pressure: 2.15E-06mmHg at 25°C
• Melting Point: 62 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.51
• Boiling Point: 393.3 °C at 760 mmHg
• Flash Point: 282.7 °C
• PSA: 59.59000
• Density: 1.461 g/cm³
• LogP: 0.45480
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.00376522
• Heavy Atom Count: 8
• Complexity: 196

Purity/Quality:

99%, ^*data from raw suppliers

Dihydro-3(2H)-thiophenone1,1-dioxide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CC1=O

Technology Process of dihydrothiophen-3(2H)-one 1,1-dioxide

There total 11 articles about dihydrothiophen-3(2H)-one 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: 82.0%

3,3-dimethoxy-tetrahydrothiophene 1,1-dioxide (7311-83-3) → 3-oxotetrahydrothiophene dioxide (17115-51-4)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

Reference yield: 75.0%

3-pentylthio-4,5-dihydrothiophene-1,1-dioxide (82813-65-8) → 3-oxotetrahydrothiophene dioxide (17115-51-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 4h; Heating;

Reference yield: 75.0%

3-octylthio-4,5-dihydrothiophene-1,1-dioxide (82813-57-8) → 3-oxotetrahydrothiophene dioxide (17115-51-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 4h; Heating;

upstream raw materials:

3,3-dimethoxy-tetrahydrothiophene 1,1-dioxide

3-hydroxytetrahydrothiophene-1,1-dioxide

3-Pentylsulfanyl-2,5-dihydro-thiophene 1,1-dioxide

3-Octylsulfanyl-2,5-dihydro-thiophene 1,1-dioxide

Downstream raw materials:

Methyl 2,3,3a,4,7,7a-hexahydro-3a-hydroxy-5-methyl-7-(2-nitrophenyl)-1,1-dioxothienol<3,2-b>pyridine-6-carboxylate

6-benzyl-9-(3-bromo-4-fluorophenyl)-2,3,5,6,7,9-hexahydrothieno[3,2-b][1,7]naphthyridin-8(4H)-one,1,1-dioxide

8-(3-bromo-4-fluorophenyl)-3,5,6,8-tetrahydro-2H-cyclopenta[b]thieno[2,3-e]pyridin-7(4H)-one,1,1-dioxide

9-(3-bromo-4-fluorophenyl)-2,3,5,9-tetrahydro-4H-pyrano[3,4-b]thieno[2,3-e]pyridin-8(7H)-one 1,1-dioxide

Refernces

• 1、 Zhao, Huaibo,McMillan, Alastair J.,Constantin, Timothée,Mykura, Rory C.,Juliá, Fabio,Leonori, Daniele. "Merging Halogen-Atom Transfer (XAT) and Cobalt Catalysis to Override E2-Selectivity in the Elimination of Alkyl Halides: A Mild Route towardcontra-Thermodynamic Olefins". supporting information. p. 14806 - 14813. Retrieved 2021/09/18.
• 2、 Guenduez,Safak,Kaygsz,Kosar,Simsek,Erol,Linden. "Synthesis of cyclopentapyridine and thienopyridine derivatives as potential calcium channel modulators". experimental part. p. 167 - 175. Retrieved 2012/09/08.