Thietan-3-one 1,1-dioxide

Base Information

• Chemical Name: Thietan-3-one 1,1-dioxide
• CAS No.: 1599-23-1
• Molecular Formula: C3H4O3S
• Molecular Weight: 120.12700
• European Community (EC) Number: 835-282-1
• Mol file: 1599-23-1.mol

Synonyms:Thietan-3-one 1,1-dioxide;1599-23-1;3-oxothietane 1,1-dioxide;3-Thietanone, 1,1-dioxide;1,1-dioxothietan-3-one;3-thietanone 1,1-dioxide;MFCD18325168;1??-thietane-1,1,3-trione;1,1-dioxo-thietan-3-one;Thietan-3-one1,1-dioxide;SCHEMBL4730800;1lambda6-thietane-1,1,3-trione;AMY32266;AKOS024464570;DB-294469;CS-0091734;EN300-85635;D75198;A855955

Chemical Property of Thietan-3-one 1,1-dioxide

Chemical Property:

• Melting Point: 210-221 °C (decomp)
• Boiling Point: 417.5±38.0 °C(Predicted)
• PSA: 59.59000
• Density: 1.622±0.06 g/cm3(Predicted)
• LogP: 0.06470
• Storage Temp.: 2-8°C
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 119.98811516
• Heavy Atom Count: 7
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

3-Thietanone1,1-dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)CS1(=O)=O

Technology Process of Thietan-3-one 1,1-dioxide

There total 1 articles about Thietan-3-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:

→ thietan-3-one-1,1-dioxide (1599-23-1)

Guidance literature:

aus 3,3-Diaethoxy-thietan-1,1-dioxyd in konz. HCl <25grad, ca. 16 Std.>;

DOI:10.1021/ja00903a040

Reference yield:

thietan-3-one-1,1-dioxide (1599-23-1) + ethyl (S)-2-(tert-butoxy)-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-3-(piperidin-4-yl)-1H-indazol-5-yl)benzo[d]thiazol-6-yl)acetate → ethyl (S)-2-(tert-butoxy)-2-(7-(4-chlorophenyl)-2-(3-(1-(1,1-dioxidothietan-3-yl)piperidin-4-yl)-1-methyl-1H-indazol-5-yl)-5-methylbenzo[d]thiazol-6-yl)acetate

Guidance literature:

thietan-3-one-1,1-dioxide; ethyl (S)-2-(tert-butoxy)-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-3-(piperidin-4-yl)-1H-indazol-5-yl)benzo[d]thiazol-6-yl)acetate; With titanium(IV) isopropylate; In tetrahydrofuran; at 20 ℃; for 1.5h;

With sodium cyanoborohydride; In tetrahydrofuran; for 1h;

Reference yield:

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + thietan-3-one-1,1-dioxide (1599-23-1) → ethyl 2-(1,1-dioxidothietan-3-ylidene)acetate (1394319-79-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃;

DOI:10.1002/ejoc.201700536

Downstream raw materials:

ethyl 2-(1,1-dioxidothietan-3-ylidene)acetate

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