3,3-Diphenyl-3H-benzo[c][1,2]oxathiole 1,1-dioxide

Base Information

• Chemical Name: 3,3-Diphenyl-3H-benzo[c][1,2]oxathiole 1,1-dioxide
• CAS No.: 15448-98-3
• Molecular Formula: C19H14 O3 S
• Molecular Weight: 322.3777
• NSC Number: 110415
• DSSTox Substance ID: DTXSID30296611
• Wikidata: Q82037290
• Mol file: 15448-98-3.mol

Synonyms:15448-98-3;3,3-Diphenyl-3H-benzo[c][1,2]oxathiole 1,1-dioxide;NSC110415;SCHEMBL13227319;DTXSID30296611;AKOS000664045;NSC-110415

Chemical Property of 3,3-Diphenyl-3H-benzo[c][1,2]oxathiole 1,1-dioxide

Chemical Property:

• Vapor Pressure: 2.46E-08mmHg at 25°C
• Boiling Point: 463.7°Cat760mmHg
• Flash Point: 234.2°C
• Density: 1.326g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 322.06636548
• Heavy Atom Count: 23
• Complexity: 491

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC=CC=C4

Technology Process of 3,3-Diphenyl-3H-benzo[c][1,2]oxathiole 1,1-dioxide

There total 11 articles about 3,3-Diphenyl-3H-benzo[c][1,2]oxathiole 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: 96.0%

α.α-Diphenyl-o-(N.N-dimethyl-sulfamoyl)-benzylalkohol (22185-04-2) → 3,3-diphenyl-1,2-benzoxathiole 1,1-dioxide (15448-98-3)

Guidance literature:

With trifluoroacetic acid; for 15h;

DOI:10.1021/jo00239a013

Reference yield: 7.8%

benzophenone (119-61-9) + phenyl benzenesulfonate (4358-63-8) → 3,3-diphenyl-1,2-benzoxathiole 1,1-dioxide (15448-98-3)

Guidance literature:

With 2,2,6,6-tetramethylpiperidinyl-lithium; lithium butoxide; In tetrahydrofuran; at -78 ℃; for 2h;

DOI:10.1021/jo950727j

Reference yield:

benzophenone (119-61-9) + N-methylbenzenesulfonanilide (90-10-8) → N-methyl-2-(phenylsulfonyl)aniline (53973-76-5) + 3,3-diphenyl-1,2-benzoxathiole 1,1-dioxide (15448-98-3)

Guidance literature:

With 2,2,6,6-tetramethylpiperidinyl-lithium; lithium butoxide; In tetrahydrofuran; at -78 ℃; for 2h;

DOI:10.1021/jo950727j

upstream raw materials:

2-sulfobenzoic acid cyclic anhydride

2-(diphenyl-hydroxy-methyl)-N-phenyl-benzenesulfonamide

α.α-Diphenyl-o-(N.N-dimethyl-sulfamoyl)-benzylalkohol

benzophenone