2,3,3-Triphenyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide

Base Information

• Chemical Name: 2,3,3-Triphenyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
• CAS No.: 15448-89-2
• Molecular Formula: C25H19 N O2 S
• Molecular Weight: 397.4889
• NSC Number: 108407
• UNII: D52W472TH3
• DSSTox Substance ID: DTXSID50165638
• Wikidata: Q83034876
• Mol file: 15448-89-2.mol

Synonyms:15448-89-2;2,3,3-Triphenyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide;D52W472TH3;NSC108407;NSC 108407;UNII-D52W472TH3;NSC-108407;1,2-Benzisothiazole, 2,3-dihydro-2,3,3-triphenyl-, 1,1-dioxide;2,3,3-triphenyl-1,2-benzothiazole 1,1-dioxide;DTXSID50165638

Chemical Property of 2,3,3-Triphenyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide

Chemical Property:

• Vapor Pressure: 4.94E-12mmHg at 25°C
• Boiling Point: 547.3°Cat760mmHg
• Flash Point: 284.8°C
• Density: 1.294g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 397.11365002
• Heavy Atom Count: 29
• Complexity: 633

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)N2C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of 2,3,3-Triphenyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide

There total 4 articles about 2,3,3-Triphenyl-2,3-dihydro-1,2-benzisothiazole 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:

2-(diphenyl-hydroxy-methyl)-N-phenyl-benzenesulfonamide (15448-94-9) → 2,3,3-triphenyl-2,3-dihydro-benzo[d]isothiazole 1,1-dioxide (15448-89-2)

Guidance literature:

With hydrogen bromide; Heating;

DOI:10.1021/jo01266a111

Reference yield:

benzenesulfonyl chloride (98-09-9) → 2,3,3-triphenyl-2,3-dihydro-benzo[d]isothiazole 1,1-dioxide (15448-89-2)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / 4 h / 140 °C

2: n-butyllithium

3: 6 h / 230 °C

With pyridine; n-butyllithium;

DOI:10.1021/acs.macromol.6b00581

Reference yield:

aniline (62-53-3) → 2,3,3-triphenyl-2,3-dihydro-benzo[d]isothiazole 1,1-dioxide (15448-89-2)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / 4 h / 140 °C

2: n-butyllithium

3: 6 h / 230 °C

With pyridine; n-butyllithium;

DOI:10.1021/acs.macromol.6b00581

upstream raw materials:

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

benzenesulfonyl chloride

aniline

N-phenylbenzenesulfonamide