3-Methylsulfolane

Base Information

• Chemical Name: 3-Methylsulfolane
• CAS No.: 872-93-5
• Molecular Formula: C5H10 O2 S
• Molecular Weight: 134.199
• Hs Code.: 2934999090
• European Community (EC) Number: 212-833-9
• NSC Number: 77078
• DSSTox Substance ID: DTXSID40870789
• Nikkaji Number: J195.152A
• Mol file: 872-93-5.mol

Synonyms:3-Methylsulfolane;872-93-5;3-Methyltetrahydrothiophene 1,1-dioxide;3-methylthiolane 1,1-dioxide;Thiophene, tetrahydro-3-methyl-, 1,1-dioxide;EINECS 212-833-9;NSC 77078;NSC77078;SCHEMBL98606;3-methyl-1-thiolane-1,1-dione;DTXSID40870789;MFCD00005487;NSC-77078;STL454393;3-Methylthiacyclopentane 1,1-dioxide;AKOS002275034;AS-47621;CS-0205141;FT-0616184;M0436;F14688

Chemical Property of 3-Methylsulfolane

Chemical Property:

• Vapor Pressure: 0.00704mmHg at 25°C
• Melting Point: 0.5°C
• Refractive Index: 1.4750 to 1.4790
• Boiling Point: 278.9 °C at 760 mmHg
• Flash Point: 154.4 °C
• PSA: 42.52000
• Density: 1.164 g/cm³
• LogP: 1.52180
• Water Solubility.: 1000g/L at 20℃
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.04015073
• Heavy Atom Count: 8
• Complexity: 163

Purity/Quality:

99.9% ^*data from raw suppliers

3-Methylsulfolane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCS(=O)(=O)C1

Technology Process of 3-Methylsulfolane

There total 20 articles about 3-Methylsulfolane 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:

3-bromomethyltetrahydrothiophene 1,1-dioxide (321979-37-7) → 3-methylsulfolane (872-93-5)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃; for 1h;

DOI:10.1021/jo0497306

Reference yield:

(but-3-ene-1-sulfonylmethylselanyl)-benzene (314056-83-2) → 3-methylsulfolane (872-93-5) + pentamethylene sulfone (4988-33-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃; for 0.0333333h;

DOI:10.1021/jo0497306

Reference yield:

→ 3-methylsulfolane (872-93-5)

Guidance literature:

With dihydrogen peroxide; acetic acid;

DOI:10.1021/ja01152a022

upstream raw materials:

3-methyl-2,5-dihydrothiophen-1,1-dioxide

4-methyl-2,3-dihydro-thiophene 1,1-dioxide

3-chloro-4-methyl-2,5-dihydro-thiophene-1,1-dioxide

(but-3-ene-1-sulfonylmethylselanyl)-benzene

Refernces

• 1、 Della,Graney. "Ring closure of 2-thia- and 2-sulfonyl-5-hexenyl radicals". . p. 7987 - 7990. Retrieved 2007/10/03.