1,4-Dithiane 1,4-dioxide

Base Information

• Chemical Name: 1,4-Dithiane 1,4-dioxide
• CAS No.: 57983-04-7
• Molecular Formula: C4H8O2S2
• Molecular Weight: 152.2351
• NSC Number: 116260
• DSSTox Substance ID: DTXSID70297480
• Nikkaji Number: J711.004I
• ChEMBL ID: CHEMBL171795

Synonyms:1,4-dithiane 1,4-dioxide;57983-04-7;CHEMBL171795;NSC116260;1, 1,4-dioxide;SCHEMBL1532411;SCHEMBL1532412;DTXSID70297480;BDBM50224819;NSC-116260;trans-1,4-Dithian-1,4-dioxid (I+/--Form)

Chemical Property of 1,4-Dithiane 1,4-dioxide

Chemical Property:

• Vapor Pressure: 5.51E-11mmHg at 25°C
• Boiling Point: 535.1°Cat760mmHg
• Flash Point: 277.4°C
• Density: 1.56g/cm³
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 151.99657184
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)CCS1=O

Technology Process of 1,4-Dithiane 1,4-dioxide

There total 2 articles about 1,4-Dithiane 1,4-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:

1,4-Dithiane (505-29-3) → 1,4-dithiane 1,4-dioxide (57983-04-7)

Guidance literature:

With 4-iodo-2,3,5,6-tetrafluorophenol; In di-isopropyl ether; cyclohexane;

DOI:10.1039/c4ce00319e

Reference yield:

→ 1,4-dithiane 1,4-dioxide (57983-04-7)

Guidance literature:

1,4-Dithian, H2O2;

DOI:10.1021/jo00409a019

Reference yield:

trans-1,4-dithiane-S,S'-dioxide (57983-04-7) + scandium picrate → 3Sc(3+)*4C6H2(NO2)3O(1-)*1.5C4H8O2S2*5OH(1-)*6H2O = [Sc3(C6H2(NO2)3O)3(C4H8O2S2)1.5(OH)5(H2O)](C6H2(NO2)3O)(H2O)5

Guidance literature:

In water; excess trans-1,4-dithiane-1,4-dioxide; room temep.; washing (hot water), drying (vac.); elem. anal.;

DOI:10.1016/0925-8388(94)07120-9

upstream raw materials:

1,4-Dithiane

Downstream raw materials:

cis-{PtCl₂(PPh₃)(S(O)CH₂CH₂S(O)CH₂CH₂)}

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