1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine

Base Information

• Chemical Name: 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine
• CAS No.: 87071-06-5
• Molecular Formula: C13H16BrNO2S
• Molecular Weight: 330.2406
• NSC Number: 133585
• DSSTox Substance ID: DTXSID70299904

Synonyms:87071-06-5;1-(2-bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine;NSC133585;DTXSID70299904;NSC-133585

Chemical Property of 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine

Chemical Property:

• Vapor Pressure: 4.57E-08mmHg at 25°C
• Boiling Point: 443.6°Cat760mmHg
• Flash Point: 222.1°C
• Density: 1.567g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 329.00851
• Heavy Atom Count: 18
• Complexity: 400

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2C(S(=O)(=O)C3=CC=CC=C23)Br

Technology Process of 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine

There total 6 articles about 1-(2-Bromo-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)piperidine 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:

piperidine (110-89-4) + 2-bromobenzothiophene S,S-dioxide (5350-05-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-piperidinobenzothiophene S,S-dioxide (1022-19-1) + 1-(2-bromo-1,1-dioxo-2,3-dihydro-1λ6-benzo[b]thiophen-3-yl)-piperidine (87071-06-5)

Guidance literature:

DOI:10.1021/ja01173a043

Reference yield:

benzothiophene-1,1-dioxide (825-44-5) → 1-(2-bromo-1,1-dioxo-2,3-dihydro-1λ6-benzo[b]thiophen-3-yl)-piperidine (87071-06-5)

Guidance literature:

Multi-step reaction with 3 steps

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

2: benzene / Pyridin oder Triaethylamin

3: ethanol

With ethanol; bromine; benzene;

DOI:10.1021/ja01173a043

Reference yield:

Benzo[b]thiophene (95-15-8,11095-43-5) → 1-(2-bromo-1,1-dioxo-2,3-dihydro-1λ6-benzo[b]thiophen-3-yl)-piperidine (87071-06-5)

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: ethanol

With ethanol; dihydrogen peroxide; bromine; acetic acid; benzene;

DOI:10.1021/ja01173a043

upstream raw materials:

piperidine

2-bromobenzothiophene S,S-dioxide

benzene

benzothiophene-1,1-dioxide

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