1-[(4-Tert-butylphenyl)sulfonyl]piperazine

Base Information

• Chemical Name: 1-[(4-Tert-butylphenyl)sulfonyl]piperazine
• CAS No.: 379244-68-5
• Molecular Formula: C₁₄H₂₂N₂O₂S
• Molecular Weight: 282.407
• DSSTox Substance ID: DTXSID40387882
• Nikkaji Number: J3.497.061K
• Wikidata: Q82182450
• Mol file: 379244-68-5.mol

Synonyms:1-[(4-tert-butylphenyl)sulfonyl]piperazine;379244-68-5;1-(4-tert-butylphenyl)sulfonylpiperazine;1-(4-tert-butylphenylsulfonyl)piperazine;1-(4-tert-butylbenzenesulfonyl)piperazine;1-((4-(tert-Butyl)phenyl)sulfonyl)piperazine;1-(4-tert-Butyl-benzenesulfonyl)-piperazine;Cambridge id 7188831;Oprea1_583274;SCHEMBL732932;DTXSID40387882;LXLOQRQQMQHVHF-UHFFFAOYSA-N;BBL017456;MFCD02655039;STK448292;1-(4-t-butylphenylsulfonyl)piperazine;AKOS000117580;VS-06178;CS-0307978;FT-0754770;EN300-10320;J3.497.061K;SR-01000253968;SR-01000253968-1;Z56884820

Chemical Property of 1-[(4-Tert-butylphenyl)sulfonyl]piperazine

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 282.14019912
• Heavy Atom Count: 19
• Complexity: 381

Purity/Quality:

97% ^*data from raw suppliers

1-[(4-tert-Butylphenyl)sulfonyl]piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2

Technology Process of 1-[(4-Tert-butylphenyl)sulfonyl]piperazine

There total 3 articles about 1-[(4-Tert-butylphenyl)sulfonyl]piperazine 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: 95.0%

piperazine (110-85-0) + 4-tert-butylbenzenesulfonyl chloride (15084-51-2) → 1-((4-(tert-butyl)phenyl)sulfonyl)piperazine (379244-68-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1039/d0md00162g

Reference yield:

C19H30N2O4S → 1-((4-(tert-butyl)phenyl)sulfonyl)piperazine (379244-68-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 1h;

DOI:10.1016/j.ejmech.2021.113253

Reference yield:

4-tert-butylbenzenesulfonyl chloride (15084-51-2) → 1-((4-(tert-butyl)phenyl)sulfonyl)piperazine (379244-68-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 16 h / 20 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 1 h

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/j.ejmech.2021.113253

upstream raw materials:

piperazine

4-tert-butylbenzenesulfonyl chloride

Downstream raw materials:

7-((4-(4-tert-butylphenylsulfonyl)piperazin-1-yl)methyl)quinolin-8-ol

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