1-Benzyl-4-(phenylsulfonyl)piperazine

Base Information

• Chemical Name: 1-Benzyl-4-(phenylsulfonyl)piperazine
• CAS No.: 107785-25-1
• Molecular Formula: C₁₇H₂₀N₂O₂S
• Molecular Weight: 316.424
• DSSTox Substance ID: DTXSID901332548
• Nikkaji Number: J1.047.770K
• ChEMBL ID: CHEMBL272551
• Mol file: 107785-25-1.mol

Synonyms:1-benzyl-4-(phenylsulfonyl)piperazine;1-(benzenesulfonyl)-4-benzylpiperazine;107785-25-1;CHEMBL272551;1-Benzenesulfonyl-4-benzyl-piperazine;Cambridge id 5268248;Oprea1_184079;Oprea1_836074;MLS001204514;F0777-0865;SCHEMBL7131206;DTXSID901332548;HMS1677D02;HMS2831D07;BDBM50435875;CCG-19293;STK053584;AKOS000390656;UPCMLD0ENAT5941568:001;NCGC00181875-01;SMR000513657;EU-0009831;EN300-24588767;SR-01000477845;SR-01000477845-1;BRD-K06638827-001-07-2;Z45509570

Chemical Property of 1-Benzyl-4-(phenylsulfonyl)piperazine

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 316.12454906
• Heavy Atom Count: 22
• Complexity: 426

Purity/Quality:

1-BENZYL-4-(PHENYLSULFONYL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Technology Process of 1-Benzyl-4-(phenylsulfonyl)piperazine

There total 4 articles about 1-Benzyl-4-(phenylsulfonyl)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: 83.0%

1-phenylmethylpiperazine (2759-28-6) + benzenesulfonyl chloride (98-09-9) → 1-benzyl-4-(phenylsulfonyl)piperazine (107785-25-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2013.04.013

Reference yield: 82.0%

1-phenylmethylpiperazine (2759-28-6) + sodium benzenesulfonate (873-55-2) → 1-benzyl-4-(phenylsulfonyl)piperazine (107785-25-1)

Guidance literature:

With phenyltrimethylammonium tribromide; In tetrahydrofuran; at 30 ℃; for 8h;

DOI:10.1016/j.tetlet.2018.05.017

Reference yield:

N-benzyl-N,N-bis(cyanomethyl)amine (16728-92-0) → 1-benzyl-4-(phenylsulfonyl)piperazine (107785-25-1)

Guidance literature:

Multi-step reaction with 2 steps

1: platinum /Raney nickel; benzene / Hydrogenation

With nickel; platinum; benzene;

DOI:10.1021/ja01116a020

upstream raw materials:

1-phenylmethylpiperazine

benzenesulfonyl chloride

N-benzyl-N,N-bis(cyanomethyl)amine

4-benzyl-piperazine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

1-phenylmethylpiperazine

Refernces

• 1、 Sadeghzadeh, Masoud,Sheibani, Shahab,Ghandi, Mehdi,Daha, Fariba Johari,Amanlou, Massoud,Arjmand, Mohammad,Hasani Bozcheloie, Abolfazl. "Synthesis and receptor binding studies of novel 4,4-disubstituted arylalkyl/arylalkylsulfonyl piperazine and piperidine-based derivatives as a new class of σ1 ligands". . p. 488 - 497. Retrieved 2013/07/27.