4-Bromo-1,1-dioxo-tetrahydrothiophen-3-one

Base Information

• Chemical Name: 4-Bromo-1,1-dioxo-tetrahydrothiophen-3-one
• CAS No.: 143654-18-6
• Molecular Formula: C₄H₅BrO₃S
• Molecular Weight: 213.052
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90454290
• Mol file: 143654-18-6.mol

Synonyms:143654-18-6;4-Bromo-1,1-dioxo-tetrahydrothiophen-3-one;4-Bromodihydrothiophen-3(2H)-one 1,1-dioxide;4-bromo-1,1-dioxothiolan-3-one;4-Bromo-1lambda~6~-thiolane-1,1,3-trione;4-bromo-3-sulfolanone;DTXSID90454290;4-bromo-1-thiolane-1,1,3-trione;STL454902;AKOS003630859;AKOS022179092;4-Bromodihydrothiophen-3(2H)-one1,1-dioxide

Chemical Property of 4-Bromo-1,1-dioxo-tetrahydrothiophen-3-one

Chemical Property:

• Boiling Point: 429.4±45.0 °C(Predicted)
• PSA: 59.59000
• Density: 2.007±0.06 g/cm3(Predicted)
• LogP: 0.82820
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 211.91428
• Heavy Atom Count: 9
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

4-Bromodihydrothiophen-3(2H)-one1,1-dioxide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(=O)CS1(=O)=O)Br

Technology Process of 4-Bromo-1,1-dioxo-tetrahydrothiophen-3-one

There total 1 articles about 4-Bromo-1,1-dioxo-tetrahydrothiophen-3-one 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: 63.0%

trans-3-bromo-4-dihydroxythiolane 1,1-dioxide (20688-40-8,35330-57-5,98537-32-7) → 4-bromo-3-sulfolanone (143654-18-6)

Guidance literature:

With jones' reagent;

DOI:10.1016/S0040-4039(00)74689-2

Reference yield: 44.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + 4-bromo-3-sulfolanone (143654-18-6) → 4,6-Dihydro-thieno[3,4-d]thiazole 5,5-dioxide (143654-19-7)

Guidance literature:

With tetraphosphorus decasulfide; In 1,4-dioxane; Heating;

DOI:10.1016/S0040-4039(00)74689-2

upstream raw materials:

trans-3-bromo-4-dihydroxythiolane 1,1-dioxide

Downstream raw materials:

4,6-Dihydro-thieno[3,4-d]thiazole 5,5-dioxide