3,4-Di(benzenesulfonyl)-1,2,5-oxadiazole

Base Information

• Chemical Name: 3,4-Di(benzenesulfonyl)-1,2,5-oxadiazole
• CAS No.: 98384-57-7
• Molecular Formula: C14H10N2O5S2
• Molecular Weight: 350.376
• ChEMBL ID: CHEMBL459468
• DSSTox Substance ID: DTXSID80508736
• Nikkaji Number: J1.649.147K
• Wikidata: Q82365882
• Mol file: 98384-57-7.mol

Synonyms:98384-57-7;3,4-Di(benzenesulfonyl)-1,2,5-oxadiazole;CHEMBL459468;SCHEMBL17774492;DTXSID80508736

Chemical Property of 3,4-Di(benzenesulfonyl)-1,2,5-oxadiazole

Chemical Property:

• PSA: 123.96000
• LogP: 3.89680
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 350.00311377
• Heavy Atom Count: 23
• Complexity: 542

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=NON=C2S(=O)(=O)C3=CC=CC=C3

Technology Process of 3,4-Di(benzenesulfonyl)-1,2,5-oxadiazole

There total 1 articles about 3,4-Di(benzenesulfonyl)-1,2,5-oxadiazole 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: 90.0%

3,4-bis(phenylsulfonyl)-1,2,5-oxadiazole 2-oxide (66074-00-8) → 3,4-di(benzenesulfonyl)-1,2,5-oxadiazole (98384-57-7)

Guidance literature:

With phosphorous acid trimethyl ester; for 1h; Heating;

DOI:10.1023/A:1012136030849

Reference yield: 94.0%

ethyl acetate (141-78-6) + 3,4-di(benzenesulfonyl)-1,2,5-oxadiazole (98384-57-7) → ethyl [4-(phenylsulfonyl)-1,2,5-oxadiazol-3-yl]acetate (906096-89-7)

Guidance literature:

ethyl acetate; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

3,4-di(benzenesulfonyl)-1,2,5-oxadiazole; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/jm051288b

Reference yield: 93.0%

3,4-di(benzenesulfonyl)-1,2,5-oxadiazole (98384-57-7) + benzyl alcohol (100-51-6,185532-71-2) → 3-(benzyloxy)-4-(phenylsulfonyl)-1,2,5-oxadiazole

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/acs.jmedchem.6b00252

upstream raw materials:

3,4-bis(phenylsulfonyl)-1,2,5-oxadiazole 2-oxide

Downstream raw materials:

3-[(3-phenylsulfonyl)furoxan-4-yloxy]propan-1-ol

N-[3-(4-benzenesulfonyl-furazan-3-yloxy)-propyl]-N'-benzoyl-N''-[3-(1-trityl-1H-imidazol-4-yl)-propyl]-guanidine

3-(phenylsulfonyl)-4-(phenylthio)furazan

N-[3-(4-benzenesulfonyl-furazan-3-yloxy)-propyl]-N'-benzoyl-N''-[3-(1-trityl-1H-imidazol-4-yl)-propyl]-guanidine