1,4-Oxathiane oxide

Base Information

• Chemical Name: 1,4-Oxathiane oxide
• CAS No.: 109-03-5
• Molecular Formula: C4H8 O2 S
• Molecular Weight: 120.172
• Hs Code.: 2934999090
• NSC Number: 39596,27706
• DSSTox Substance ID: DTXSID30282736
• Nikkaji Number: J101.089A
• Wikidata: Q82017086
• ChEMBL ID: CHEMBL170059
• Mol file: 109-03-5.mol

Synonyms:1,4-Oxathiane 4-oxide;1,4-Oxathiane oxide;109-03-5;1,4-Oxathiane, 4-oxide;1,4-Thioxane sulfoxide;CHEMBL170059;1, 4-oxide;1,4-Oxathiane4-oxide;NSC39596;1,4|E?-oxathian-4-one;SCHEMBL256058;DTXSID30282736;AMY42358;NSC27706;BDBM50224821;NSC-27706;NSC-39596;A51207;A903216

Chemical Property of 1,4-Oxathiane oxide

Chemical Property:

• Vapor Pressure: 0.00054mmHg at 25°C
• Boiling Point: 322°C at 760 mmHg
• Flash Point: 148.5°C
• PSA: 45.51000
• Density: 1.29g/cm³
• LogP: 0.63100
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 120.02450067
• Heavy Atom Count: 7
• Complexity: 73.8

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)CCO1

Technology Process of 1,4-Oxathiane oxide

There total 2 articles about 1,4-Oxathiane 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:

1,4-Oxathiane (15980-15-1) + Methyl p-tolyl sulfoxide (934-72-5) → 1,4-oxathiane-4-oxide (109-03-5) + 4-methylphenyl methylsulfide (623-13-2)

Guidance literature:

With hydrogenchloride; In methanol; water; at 25 ℃; Rate constant;

Reference yield:

1,4-Oxathiane (15980-15-1) → 1,4-oxathiane-4-oxide (109-03-5) + 1,4-oxathiane-4,4-dioxide (107-61-9)

Guidance literature:

With oxygen; isobutyraldehyde; In toluene; at 80 ℃; for 1h; under 760.051 Torr;

DOI:10.1016/j.bmcl.2007.05.073

Reference yield: 43.0%

1,4-oxathiane-4-oxide (109-03-5) + trimethylsilylcyclopentadiene (3559-74-8) → (1,4-Oxathian-4-io)cyclopentadienid

Guidance literature:

DOI:10.1016/S0040-4039(01)81739-1

upstream raw materials:

1,4-Oxathiane

Methyl p-tolyl sulfoxide

Downstream raw materials:

4-(2-Oxocyclohexyl)-1,4-oxathian-4-ium-perchlorat

5,6-dihydro-1,4-oxathiine

3-acetoxy-1,4-oxathiane

2-acetoxy-1,4-oxathiane

Refernces

• 1、 Kamata, Keigo,Hirano, Tomohisa,Ishimoto, Ryo,Mizuno, Noritaka. "Sulfoxidation with hydrogen peroxide catalyzed by [SeO 4{WO(O2)2}2]2-". experimental part. p. 5509 - 5518. Retrieved 2010/08/04.
• 2、 Miotti, Umberto. "Oxygen Exchange between Sulphoxides and Sulphides. Part 3. The HCl-Catalysed Reduction of Aryl Methyl Sulphoxides by Dialkyl Sulphides in Aqueous Methanol". . p. 617 - 622. Retrieved 2007/10/02.