Dihydro-2H-thiopyran-3(4H)-one-1,1-dioxide

Base Information

• Chemical Name: Dihydro-2H-thiopyran-3(4H)-one-1,1-dioxide
• CAS No.: 29431-37-6
• Molecular Formula: C5H8O3S
• Molecular Weight: 148.183
• Hs Code.: 2934999090
• European Community (EC) Number: 819-871-0
• DSSTox Substance ID: DTXSID50473422
• Nikkaji Number: J340.542G
• Wikidata: Q82302805
• Mol file: 29431-37-6.mol

Synonyms:Dihydro-2H-thiopyran-3(4H)-one-1,1-dioxide;29431-37-6;1,1-dioxothian-3-one;dihydro-2H-thiopyran-3(4H)-one 1,1-dioxide;1lambda6-thiane-1,1,3-trione;tetrahydrothiopyran-3-one-1,1-dioxide;1, 1-dioxothian-3-one;SCHEMBL4838366;1|E?-thiane-1,1,3-trione;DTXSID50473422;UCVLBKIDCLECCH-UHFFFAOYSA-N;tetrahydro-3-thiopyrone S,S-dioxide;MFCD16622215;AKOS015950428;AT13044;tetrahydrothiopyran-3-one-1, 1-dioxide;BS-13127;1,1-Dioxo-tetrahydro-1?6-thiopyran-3-one;CS-0217415;dihydro-2H-thiopyran-3(4H)-one1,1-dioxide;FT-0685951;EN300-74286;J-520325;Z1065610146

Chemical Property of Dihydro-2H-thiopyran-3(4H)-one-1,1-dioxide

Chemical Property:

• PSA: 59.59000
• LogP: 0.84490
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.01941529
• Heavy Atom Count: 9
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

Tetrahydrothiopyran-3-one1,1-dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CS(=O)(=O)C1

Technology Process of Dihydro-2H-thiopyran-3(4H)-one-1,1-dioxide

There total 18 articles about Dihydro-2H-thiopyran-3(4H)-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: 99.0%

3,3-diethoxy-tetrahydro-thiopyran 1,1-dioxide (691871-82-6) → tetrahydrothiopyran-3-one-1,1-dioxide (29431-37-6)

Guidance literature:

With hydrogenchloride; In water; at 60 ℃; for 2h;

DOI:10.1081/SCC-120027703

Reference yield: 94.0%

sodium methoxy-(3-oxo-tetrahydrothiopyran-2-ylidene)methanolate (1431150-81-0) → tetrahydrothiopyran-3-one-1,1-dioxide (29431-37-6)

Guidance literature:

sodium methoxy-(3-oxo-tetrahydrothiopyran-2-ylidene)methanolate; With sulfuric acid; for 5h;

With dihydrogen peroxide; acetic anhydride; acetic acid; at 20 ℃; for 168h; Cooling with ice;

DOI:10.1039/c2ce26332g

Reference yield: 90.0%

dihydro-2H-thiopyran-3(4H)-one (19090-03-0) → tetrahydrothiopyran-3-one-1,1-dioxide (29431-37-6)

Guidance literature:

With dihydrogen peroxide; In water; acetic anhydride; acetic acid; at 20 ℃; for 168h; Cooling with ice;

DOI:10.1080/00397911.2018.1486427

upstream raw materials:

dihydro-2H-thiopyran-3(4H)-one

4-methanesulfonyl-butyric acid ethyl ester

sodium ethanolate

toluene

Downstream raw materials:

Tetrahydro-2-(2-phenylethyl)thiopyran-3-on-1,1-dioxid

Methyl 3,4,5,8-tetrahydro-6-methyl-8-(3-nitrophenyl)-1,1-dioxo-2H-thiopyrano<3,2-b>pyridine-7-carboxylate

3-cyclohexylamino-5,6-dihydro-4H-thiopyran 1,1-dioxide

3-(p-toluidino)-5,6-dihydro-4H-thiopyran 1,1-dioxide