1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole

Base Information

• Chemical Name: 1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
• CAS No.: 412049-71-9
• Molecular Formula: C18H19N3O2S
• Molecular Weight: 341.434
• DSSTox Substance ID: DTXSID90436238
• Nikkaji Number: J2.348.637G
• Wikidata: Q82251490
• Pharos Ligand ID: MTWRLGYTWRU7
• ChEMBL ID: CHEMBL370779

Synonyms:412049-71-9;1-(phenylsulfonyl)-4-(1-piperazinyl)-1h-indole;CHEMBL370779;1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole;1-Benzenesulfonyl-4-piperazin-1-yl-1H-indole;1-(benzenesulfonyl)-4-piperazin-1-yl-indole;D0TG0I;SCHEMBL1136504;DTXSID90436238;OPAMDWUUNKYGOR-UHFFFAOYSA-N;BDBM50174269;PD179078;1-(benzenesulfonyl)-4-piperazin-1-ylindole;CS-0253760;FT-0724295;1-(benzenesulfonyl)-4-(1-piperazinyl)indole;1-(phenylsulfonyl)-4-piperzin-1-yl-1H-indole;1-(phenylsulfonyl)-4-piperazin-1-y1-1H-indole;1-(phenylsulfonyl)-4-piperazin-1-yl-1H-indole;A825466

Chemical Property of 1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 341.11979803
• Heavy Atom Count: 24
• Complexity: 521

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4

Technology Process of 1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole

There total 5 articles about 1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole 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: 100.0%

4-(1-benzenesulfonyl-1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester (393508-48-0) → 1-(phenylsulfonyl)-4-(1-piperazinyl)-1H-indole (412049-71-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2005.06.107

Reference yield:

4-(1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester (252978-89-5) → 1-(phenylsulfonyl)-4-(1-piperazinyl)-1H-indole (412049-71-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: t-BuOK / tetrahydrofuran / 2 h / 20 °C

1.2: tetrahydrofuran / 15 h / 20 °C

2.1: 100 percent / CF₃CO₂H / CH₂Cl₂ / 4 h / 20 °C

With potassium tert-butylate; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2005.06.107

Reference yield:

benzenesulfonyl chloride (98-09-9) → 1-(phenylsulfonyl)-4-(1-piperazinyl)-1H-indole (412049-71-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: t-BuOK / tetrahydrofuran / 2 h / 20 °C

1.2: tetrahydrofuran / 15 h / 20 °C

2.1: 100 percent / CF₃CO₂H / CH₂Cl₂ / 4 h / 20 °C

With potassium tert-butylate; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2005.06.107

upstream raw materials:

4-(1-benzenesulfonyl-1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester

4-(1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester

benzenesulfonyl chloride

4-bromoindole-1-carboxylic acid tert-butyl ester

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