2,3-Dihydrothiophene 1,1-dioxide

Base Information

• Chemical Name: 2,3-Dihydrothiophene 1,1-dioxide
• CAS No.: 1192-16-1
• Molecular Formula: C4H6 O2 S
• Molecular Weight: 118.156
• Hs Code.: 2934999090
• European Community (EC) Number: 802-623-0
• NSC Number: 101883
• DSSTox Substance ID: DTXSID20152333
• Nikkaji Number: J13.034F
• Wikidata: Q83018957
• Mol file: 1192-16-1.mol

Synonyms:2,3-Dihydrothiophene 1,1-dioxide;2-Sulfolene;1192-16-1;alpha-Sulfolene;THIOPHENE, 2,3-DIHYDRO-, 1,1-DIOXIDE;NSC 101883;BRN 0108434;Dihydrothiophene 1,1-Dioxide;2,3-dihydro-thiophene 1,1-dioxide;28452-93-9;4-17-00-00142 (Beilstein Handbook Reference);2,3-Dihydrothiophene1,1-dioxide;.alpha.-Sulfolene;Sulfol-2-ene;NSC101883;NCIOpen2_001621;SCHEMBL868792;DTXSID20152333;4,5-dihydrothiophene 1,1-dioxide;BBL012811;MFCD00195935;STK787114;2,3-dihydro-1-thiophene-1,1-dione;AKOS000269520;NSC-101883;2,3-dihydro-1lambda6-thiophene-1,1-dione;LS-153072;CS-0169407;FT-0685269;EN300-16757;2,3-Dihydrothiophene 1,1-dioxide, AldrichCPR;C80036;2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property of 2,3-Dihydrothiophene 1,1-dioxide

Chemical Property:

• Vapor Pressure: 0.00139mmHg at 25°C
• Melting Point: 48.5-49.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Boiling Point: 306.5°Cat760mmHg
• Flash Point: 196.3°C
• PSA: 42.52000
• Density: 1.333g/cm³
• LogP: 1.39940
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.00885060
• Heavy Atom Count: 7
• Complexity: 170

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3-Dihydrothiophene 1,1-dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)C=C1
• Uses: 2,3-Dihydrothiophene 1,1-Dioxide is a solvent; used in method of manufacturing lithium-air batteries provided with nitrogen-doped carbon electrodes and lithium-air batteries using thereof.

Technology Process of 2,3-Dihydrothiophene 1,1-dioxide

There total 17 articles about 2,3-Dihydrothiophene 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: 97.0%

3-bromotetrahydrothiophene 1,1-dioxide (14008-53-8) → 2,3-dihydrothiophene-1,1-dioxide (1192-16-1)

Guidance literature:

With 2,6-dichloro-benzonitrile; In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1021/jo00125a038

Reference yield: 90.0%

3-Sulfolene (77-79-2) → 2,3-dihydrothiophene-1,1-dioxide (1192-16-1)

Guidance literature:

(carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); In benzene; for 6h; Heating;

DOI:10.1016/S0022-328X(02)02111-3

Reference yield: 85.0%

Carbonic acid 1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl ester phenyl ester (76924-21-5) → 2,3-dihydrothiophene-1,1-dioxide (1192-16-1) + 3-hydroxytetrahydrothiophene-1,1-dioxide (13031-76-0)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; water; for 5h; Heating;

DOI:10.1007/BF00504106

upstream raw materials:

2,3-dihydrothiophene

3-Sulfolene

2,2,3,3,4,4,5,5-octafluoropentan-1-ol

methyl iodide

Downstream raw materials:

C₁₃H₁₇NO₂S

N-2-(1-hydroxy)ethyl-3-tetrahydrothiopheneamine-1,1-dioxide

5-benzylhexahydro-2H-thieno[2,3-c]pyrrole 1,1-dioxide

(E)-4,8-dimethylnona-1,3,7-triene

Refernces

• 1、 Krug et al.. "-". . p. 212,215. Retrieved 1958.
• 2、 -. "PYRIDAZINONE COMPOUNDS". Page/Page column 162-163. . Retrieved 2008/12/07.