3-Piperidin-1-yl-1-benzothiophene 1,1-dioxide

Base Information

• Chemical Name: 3-Piperidin-1-yl-1-benzothiophene 1,1-dioxide
• CAS No.: 1022-19-1
• Molecular Formula: C₁₃H₁₅NO₂S
• Molecular Weight: 249.334
• NSC Number: 133592
• DSSTox Substance ID: DTXSID50299907
• Wikidata: Q82042615
• ChEMBL ID: CHEMBL1521761
• Mol file: 1022-19-1.mol

Synonyms:1022-19-1;3-piperidin-1-yl-1-benzothiophene 1,1-dioxide;piperidine, 1-(1,1-dioxidobenzo[b]thien-3-yl)-;NSC133592;Cambridge id 6686526;Oprea1_253112;Oprea1_652825;MLS000071703;CHEMBL1521761;DTXSID50299907;HMS2170N10;HMS3310F04;1-(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophen-3-yl)-piperidine;STK357341;AKOS003366023;NSC-133592;PD148350;SMR000012170;1-(1,1-dioxido-1-benzothien-3-yl)piperidine;1-(1,1-dioxido-1-benzothiophen-3-yl)piperidine;3-piperidin-1-yl-benzo[b]thiophene 1,1-dioxide;AF-499/00033028;SR-01000315033;SR-01000315033-1

Chemical Property of 3-Piperidin-1-yl-1-benzothiophene 1,1-dioxide

Chemical Property:

• Vapor Pressure: 1.81E-08mmHg at 25°C
• Refractive Index: 1.638
• Boiling Point: 455.1°C at 760 mmHg
• Flash Point: 229°C
• Density: 1.329g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 249.08234989
• Heavy Atom Count: 17
• Complexity: 415

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Piperidin-1-yl-1-benzothiophene 1,1-dioxide

There total 7 articles about 3-Piperidin-1-yl-1-benzothiophene 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:

benzothiophene-1,1-dioxide (825-44-5) → 3-piperidinobenzothiophene S,S-dioxide (1022-19-1)

Guidance literature:

Multi-step reaction with 3 steps

1: bromine / Irradiation_.unter Bestrahlung mit UV-Licht

2: benzene / Pyridin oder Triaethylamin

3: benzene

With bromine; benzene;

DOI:10.1021/ja01173a043

Reference yield:

Benzo[b]thiophene (95-15-8,11095-43-5) → 3-piperidinobenzothiophene S,S-dioxide (1022-19-1)

Guidance literature:

Multi-step reaction with 4 steps

1: acetic acid; aqueous hydrogen peroxide

2: bromine / Irradiation_.unter Bestrahlung mit UV-Licht

3: benzene / Pyridin oder Triaethylamin

4: benzene

With dihydrogen peroxide; bromine; acetic acid; benzene;

DOI:10.1021/ja01173a043

Reference yield:

3-Bromothianaphthene (7342-82-7) → 3-piperidinobenzothiophene S,S-dioxide (1022-19-1)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid anhydride; acetic acid; hydrogen peroxide

2: ethanol

With ethanol; dihydrogen peroxide; acetic anhydride; acetic acid;

DOI:10.1021/ja01184a079

upstream raw materials:

piperidine

2-bromobenzothiophene S,S-dioxide

benzene

3-bromobenzothiophene S,S-dioxide

Downstream raw materials:

4,4-dioxo-8b-piperidino-2,3-diphenyl-2,3-dihydrobenzothieno<2,3-d>isoxazolidine

4,4-dioxo-8b-piperidino-3-(2,4,6-trimethylphenyl)-2,3-dihydrobenzothiopheno<2,3-d>isoxazoline

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