Thiacyclohex-3-ene, 1,1-dioxide

Base Information

• Chemical Name: Thiacyclohex-3-ene, 1,1-dioxide
• CAS No.: 16841-46-6
• Molecular Formula: C₅H₈O₂S
• Molecular Weight: 132.183
• DSSTox Substance ID: DTXSID50168563
• Wikidata: Q83038178

Synonyms:16841-46-6;Thiacyclohex-3-ene, 1,1-dioxide;3,6-dihydro-2H-1lambda6-thiopyran-1,1-dione;3,6-dihydro-2H-thiopyran 1,1-dioxide;SCHEMBL1998298;DTXSID50168563;3,6-dihydro-2H-1|E?-thiopyran-1,1-dione;EN300-199535

Chemical Property of Thiacyclohex-3-ene, 1,1-dioxide

Chemical Property:

• Vapor Pressure: 0.00169mmHg at 25°C
• Boiling Point: 303.3°C at 760 mmHg
• Flash Point: 183.7°C
• PSA: 42.52000
• Density: 1.243g/cm³
• LogP: 1.44190
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 132.02450067
• Heavy Atom Count: 8
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

3,6-dihydro-2H-1lambda6-thiopyran-1,1-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CC=C1

Technology Process of Thiacyclohex-3-ene, 1,1-dioxide

There total 14 articles about Thiacyclohex-3-ene, 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: 95.0%

1,1-dioxidotetrahydro-2H-thiopyran-3-yl methanesulfonate → 3,6-dihydro-2H-thiopyran 1,1-dioxide (16841-46-6)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 8h;

DOI:10.1080/00397911.2018.1486427

Reference yield: 0.34%

3,4-dihydro-2H-thiopyran (13042-80-3) → 3,6-dihydro-2H-thiopyran 1,1-dioxide (16841-46-6) + 3,4-dihydro-2H-thiopyran 1,1-dioxide (16841-51-3)

Guidance literature:

With dihydrogen peroxide; at 100 ℃; for 4h;

DOI:10.1016/S0040-4020(01)80031-4

Reference yield:

3,4-dihydro-2H-thiopyran 1,1-dioxide (16841-51-3) → 3,6-dihydro-2H-thiopyran 1,1-dioxide (16841-46-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01126a068

upstream raw materials:

3,4-dihydro-2H-thiopyran 1,1-dioxide

1-methyl-4-nitrosobenzene

triethylamine

3-bromo-1λ⁶-thiane-1,1-dione

Downstream raw materials:

3,4-dihydro-2H-thiopyran 1,1-dioxide

4-Bromthiacyclohexan-1,1-dioxid

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