4-Methyl-1,3,2-dioxathiane 2-oxide

Base Information

• Chemical Name: 4-Methyl-1,3,2-dioxathiane 2-oxide
• CAS No.: 4426-51-1
• Molecular Formula: C4H8 O3 S
• Molecular Weight: 136.172
• Hs Code.: 2934999090
• European Community (EC) Number: 224-608-2
• NSC Number: 104116,104115,60195
• DSSTox Substance ID: DTXSID00871075
• Nikkaji Number: J42.712H,J736.822D
• Mol file: 4426-51-1.mol

Synonyms:4-Methyl-1,3,2-dioxathiane 2-oxide;4426-51-1;1,3-Butylene sulphite;FDA 0477;4-Methyltrimethylene sulfite;NSC-60195;4-Methyl-trimethylene sulfite;1,3-BUTANEDIOL, CYCLIC SULFITE;1,3,2-Dioxathiane, 4-methyl, 2-oxide;1,3,2-Dioxathiane, 4-methyl-, 2-oxide;EINECS 224-608-2;NSC 60195;NSC 104116;BRN 1237514;1,3-Butanediol cyclic sulfite;AI3-61410;UNII-67XN5096N4;NSC60195;NSC104116;4-01-00-02510 (Beilstein Handbook Reference);NCIOpen2_007294;WLN: T6OSOTJ BO D1;SCHEMBL5989605;DTXSID00871075;1,3-butylene glycol sulfite(BS);NSC104115;AKOS024429062;1,2-Dioxathiane, 4-methyl, 2-oxide;67XN5096N4;NSC-104115;NSC-104116;1,2-Dioxathiane, 4-methyl-, 2-oxide;1,3,2-Dioxathiane,4-methyl-,2-oxide;4-methyl-[1,3,2]dioxathiane 2-oxide;4-methyl-1,3,2|E?-dioxathian-2-one;AS-61760;LS-45815;CS-0452558;4-METHYL-1,3,2??-DIOXATHIAN-2-ONE;4-Methyl-1,3-dioxa-2-thia(IV)cyclohexan-2-one;1,3-butylene glycol sulfite,4-methyl -1,3,2-dioxathiane-2-oxide

Chemical Property of 4-Methyl-1,3,2-dioxathiane 2-oxide

Chemical Property:

• Vapor Pressure: 0.976mmHg at 25°C
• Melting Point: 5℃
• Refractive Index: 1.4661 (estimate)
• Boiling Point: 185 °C at 760 mmHg
• Flash Point: 69.3 °C
• PSA: 54.74000
• Density: 1.36 g/cm³
• LogP: 1.25620
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 136.01941529
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

1,3-BUTYLENE GLYCOL SULFITE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCOS(=O)O1

Technology Process of 4-Methyl-1,3,2-dioxathiane 2-oxide

There total 3 articles about 4-Methyl-1,3,2-dioxathiane 2-oxide 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: 92.5%

1.3-butanediol (18826-95-4,107-88-0) → 4-methyl-[1,3,2]dioxathiane 2-oxide (4426-51-1)

Guidance literature:

With dimethylsulfite; sodium methylate; magnesium oxide; at 90 - 110 ℃; for 2h; Temperature; Reagent/catalyst;

Reference yield:

thionyl chloride (7719-09-7) + 1.3-butanediol (18826-95-4,107-88-0) → 4-methyl-[1,3,2]dioxathiane 2-oxide (4426-51-1)

Guidance literature:

at 25 ℃;

Reference yield:

→ 4-methyl-[1,3,2]dioxathiane 2-oxide (4426-51-1)

Guidance literature:

Butan-1,3-diol;

upstream raw materials:

1.3-butanediol

thionyl chloride

Refernces

• 1、 -. "Preparation method for butylene glycol sulfite". Paragraph 0016. . Retrieved 2017/07/11.
• 2、 Berridge,Franceschini,Rosenfeld,Tewson. "Cyclic sulfates: Useful substrates for selective nucleophilic substitution". . p. 1211 - 1217. Retrieved 2007/10/02.