1,2-Benzisothiazole, 3-piperidino-, 1,1-dioxide

Base Information

• Chemical Name: 1,2-Benzisothiazole, 3-piperidino-, 1,1-dioxide
• CAS No.: 7668-30-6
• Molecular Formula: C12H14N2O2S
• Molecular Weight: 250.321
• NSC Number: 331997
• UNII: 7GXZ635D9J
• DSSTox Substance ID: DTXSID00227477
• Wikidata: Q83107220
• Mol file: 7668-30-6.mol

Synonyms:1,2-Benzisothiazole, 3-piperidino-, 1,1-dioxide;7668-30-6;7GXZ635D9J;NSC-331997;3-piperidin-1-yl-1,2-benzothiazole 1,1-dioxide;NSC331997;NSC 331997;UNII-7GXZ635D9J;DTXSID00227477;STK731688;AKOS002340289;EU-0017528;AB00080346-01;SR-01000511640;3-(piperidin-1-yl)-1,2-benzothiazole 1,1-dioxide;SR-01000511640-1;1,2-Benzisothiazole, 3-(1-piperidinyl)-, 1,1-dioxide

Chemical Property of 1,2-Benzisothiazole, 3-piperidino-, 1,1-dioxide

Chemical Property:

• Vapor Pressure: 1.66E-07mmHg at 25°C
• Boiling Point: 427.3°Cat760mmHg
• Flash Point: 212.2°C
• Density: 1.42g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.07759887
• Heavy Atom Count: 17
• Complexity: 418

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Technology Process of 1,2-Benzisothiazole, 3-piperidino-, 1,1-dioxide

There total 3 articles about 1,2-Benzisothiazole, 3-piperidino-, 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: 18.0%

piperidine (110-89-4) + 3-(phthalimidoxy)-1,2-benzoisothiazole 1,1-dioxide (82875-95-4) → 1-[(4-methylphenyl)sulfinyl]piperidine (6873-93-4) + 3-piperidino-1,2-benzoisothiazole 1,1-dioxide (7668-30-6)

Guidance literature:

With p-toluene sulfinic acid; triethylamine; In dichloromethane; Ambient temperature;

DOI:10.1248/cpb.30.1646

Reference yield:

piperidine (110-89-4) + 3-(benzylthio)-1,2-benzisothiazole 1,1-dioxide (75908-55-3) → 3-piperidino-1,2-benzoisothiazole 1,1-dioxide (7668-30-6) + phenylmethanethiol (100-53-8)

Guidance literature:

In acetonitrile; for 0.166667h; Ambient temperature;

DOI:10.1246/cl.1981.1457

Reference yield:

piperidine (110-89-4) + 3-(methylthio)-1,2-benzisothiazole 1,1-dioxide (61766-82-3) → methylthiol (74-93-1) + 3-piperidino-1,2-benzoisothiazole 1,1-dioxide (7668-30-6)

Guidance literature:

In acetonitrile; for 0.166667h; Ambient temperature;

DOI:10.1246/cl.1981.1457

upstream raw materials:

piperidine

3-(methylthio)-1,2-benzisothiazole 1,1-dioxide

3-(benzylthio)-1,2-benzisothiazole 1,1-dioxide

3-(phthalimidoxy)-1,2-benzoisothiazole 1,1-dioxide