Thiomorpholine 1,1-dioxide

Base Information

• Chemical Name: Thiomorpholine 1,1-dioxide
• CAS No.: 39093-93-1
• Molecular Formula: C4H9NO2S
• Molecular Weight: 135.187
• Hs Code.: 2934999090
• European Community (EC) Number: 815-944-6
• DSSTox Substance ID: DTXSID80424427
• Wikidata: Q72508759
• ChEMBL ID: CHEMBL2448869
• Mol file: 39093-93-1.mol

Synonyms:Thiomorpholine 1,1-dioxide;39093-93-1;Thiomorpholine-1,1-dioxide;1,4-thiazinane 1,1-dioxide;Thiomorpholine dioxide;Thiomorpholine, 1,1-dioxide;1,1-Dioxothiomorpholine;MFCD05861623;1,1-DIOXIDOTHIOMORPHOLINE;1lambda6-thiomorpholine-1,1-dione;tetrahydro-2H-1,4-thiazine 1,1-dioxide;1,1-Dioxide-4-thiomorpholine;1,1-dioxo-thiomorpholin;1,1-Dioxo-thiomorpholine;thiomopholine 1,1-dioxide;thiomorpholin 1,1-dioxide;thiomorpholin-1,1-dioxide;thiomorpholine S,S-dioxide;thiomorpholine-S,S-dioxide;1,1-dioxo-thio-morpholine;thiomorpholine 1,1 dioxide;1-thiomorpholine-1,1-dione;SCHEMBL13422;CHEMBL2448869;DTXSID80424427;NDOVLWQBFFJETK-UHFFFAOYSA-N;BCP14326;STR08569;1,1-DIOXO-1-THIOMORPHOLINE;STK505504;AKOS000321448;AM84924;CS-W009111;PB18693;PS-3698;SB10344;AC-23959;SY002390;BB 0259349;FT-0639524;T2193;EN300-43009;P10326;4,4-methylenebis(3-chloro-2,6-diethylaniline);A824404;J-524949;1,1-dioxido-1,4-thiazinane;1,4-Thiazinane 1,1-dioxide, 1,1-Dioxidothiomorpholine

Chemical Property of Thiomorpholine 1,1-dioxide

Chemical Property:

• Appearance/Colour: light yellow solid
• Vapor Pressure: 0.413mmHg at 25°C
• Melting Point: 0°C
• Refractive Index: 1.549
• Boiling Point: 336.2 °C at 760 mmHg
• PKA: 6.48±0.20(Predicted)
• Flash Point: 157.1 °C
• PSA: 54.55000
• Density: 1.239 g/cm³
• LogP: 0.41400
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.03539970
• Heavy Atom Count: 8
• Complexity: 143

Purity/Quality:

98% ^*data from raw suppliers

Thiomorpholine 1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CCN1
• Uses: Thiomorpholine 1,1-Dioxide is a useful building block, used in the synthetic preparation of antibacterial biaryloxazolidinone analogues, and isothiazolo-pyridine derivatives for use as cyclin G-associated kinase inhibitors and antiviral agents.

Technology Process of Thiomorpholine 1,1-dioxide

There total 11 articles about Thiomorpholine 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: 93.0%

Thiomorpholin (123-90-0) → thiomorpholine 1,1-dioxide (39093-93-1)

Guidance literature:

With sodium hydroxide; oxone; In HOCH₃; water monomer;

Reference yield: 92.0%

1,4-oxathiane-4,4-dioxide (107-61-9) → thiomorpholine 1,1-dioxide (39093-93-1)

Guidance literature:

With ammonium hydroxide; at 150 ℃;

DOI:10.1007/BF00899678

Reference yield: 82.0%

tert-butyl thiomorpholine-4-carboxylic acid-1,1-dioxide (215791-95-0) → thiomorpholine 1,1-dioxide (39093-93-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 25 ℃; for 5h;

DOI:10.1016/j.ejmech.2018.09.004

upstream raw materials:

4-Phenyltetrahydro-1,4-thiazine 1,1-dioxide

1,4-oxathiane-4,4-dioxide

thiamorpholine hydrochloride

Thiomorpholin

Downstream raw materials:

{2,3-Dichloro-4-[3-(1,1-dioxo-1λ⁶-thiomorpholin-4-ylmethyl)-4-hydroxy-benzoyl]-phenoxy}-acetic acid ethyl ester

{4-[3,5-Bis-(1,1-dioxo-1λ⁶-thiomorpholin-4-ylmethyl)-4-hydroxy-benzoyl]-2,3-dichloro-phenoxy}-acetic acid ethyl ester

4-Cyanomethyl-thiomorpholin-S-dioxid

α-(S,S-dioxothiomorpholino)acetophenone

Refernces

• 1、 Wu, Yachuang,Ding, Xiudong,Yang, Yifeng,Li, Yingxiu,Qi, Yinliang,Hu, Feng,Qin, Mingze,Liu, Yajing,Sun, Lu,Zhao, Yanfang. "Optimization of biaryloxazolidinone as promising antibacterial agents against antibiotic-susceptible and antibiotic-resistant gram-positive bacteria". . . Retrieved 2019/10/23.
• 2、 Badetti, Elena,Bonetto, Alessandro,Romano, Francesco,Marchiò, Luciano,Zonta, Cristiano,Licini, Giulia. "Synthesis, Characterization and Catalytic Activity of a Tungsten(VI) Amino Triphenolate Complex". . p. 2313 - 2318. Retrieved 2017/08/22.