Thiophene-3-ol, tetrahydro-, 3-benzenesulfonate, 1,1-dioxide

Base Information

• Chemical Name: Thiophene-3-ol, tetrahydro-, 3-benzenesulfonate, 1,1-dioxide
• CAS No.: 36715-84-1
• Molecular Formula: C10H12O5S2
• Molecular Weight: 276.334
• DSSTox Substance ID: DTXSID101185052
• Mol file: 36715-84-1.mol

Synonyms:36715-84-1;Thiophene-3-ol, tetrahydro-, 3-benzenesulfonate, 1,1-dioxide;SCHEMBL19368111;DTXSID101185052;STL347681;AKOS000270077;AKOS016039700;1,1-dioxidotetrahydrothiophen-3-yl benzenesulfonate

Chemical Property of Thiophene-3-ol, tetrahydro-, 3-benzenesulfonate, 1,1-dioxide

Chemical Property:

• PSA: 94.27000
• LogP: 2.74060
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 276.01261583
• Heavy Atom Count: 17
• Complexity: 448

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CC1OS(=O)(=O)C2=CC=CC=C2

Technology Process of Thiophene-3-ol, tetrahydro-, 3-benzenesulfonate, 1,1-dioxide

There total 2 articles about Thiophene-3-ol, tetrahydro-, 3-benzenesulfonate, 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: 57.0%

3-hydroxytetrahydrothiophene-1,1-dioxide (13031-76-0) + benzenesulfonyl chloride (98-09-9) → 1,1-dioxotetrahydro-1-thiophen-3-yl benzenesulfonate (36715-84-1)

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1124/jpet.120.000266

Reference yield:

→ 1,1-dioxotetrahydro-1-thiophen-3-yl benzenesulfonate (36715-84-1)

Guidance literature:

3-Hydroxysulfolan, Benzosulfonylchlorid;

DOI:10.1007/BF00481099

upstream raw materials:

3-hydroxytetrahydrothiophene-1,1-dioxide

benzenesulfonyl chloride