1-Benzyl-4-[(4-methylphenyl)sulfonyl]piperazine

Base Information

• Chemical Name: 1-Benzyl-4-[(4-methylphenyl)sulfonyl]piperazine
• CAS No.: 95558-32-0
• Molecular Formula: C₁₈H₂₂N₂O₂S
• Molecular Weight: 330.451
• DSSTox Substance ID: DTXSID701332409
• Nikkaji Number: J1.242.158C
• ChEMBL ID: CHEMBL256796
• Mol file: 95558-32-0.mol

Synonyms:1-benzyl-4-[(4-methylphenyl)sulfonyl]piperazine;1-benzyl-4-(4-methylphenyl)sulfonylpiperazine;95558-32-0;1-benzyl-4-tosylpiperazine;Maybridge1_007007;Oprea1_498990;Oprea1_684897;MLS001182148;CHEMBL256796;SCHEMBL19991949;HMS561G11;DTXSID701332409;HMS2870M22;CCG-54816;STK147236;AKOS000541390;UPCMLD0ENAT5941579:001;SMR000567926;AG-205/37007193;SR-01000516175;SR-01000516175-1;SR-01000516175-2;Z45509580;F0777-0866

Chemical Property of 1-Benzyl-4-[(4-methylphenyl)sulfonyl]piperazine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 330.14019912
• Heavy Atom Count: 23
• Complexity: 452

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Technology Process of 1-Benzyl-4-[(4-methylphenyl)sulfonyl]piperazine

There total 7 articles about 1-Benzyl-4-[(4-methylphenyl)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: 91.0%

N,N-bis(2-chloroethyl)-p-toluenesulfonamide (42137-88-2) + benzylamine (100-46-9) → N-benzyl-N'-tozylpiperazine (95558-32-0)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 90 - 135 ℃;

DOI:10.1007/BF02503484

Reference yield: 89.0%

1-phenylmethylpiperazine (2759-28-6) + p-toluenesulfonyl chloride (98-59-9) → N-benzyl-N'-tozylpiperazine (95558-32-0)

Guidance literature:

In water; at 20 ℃; for 0.416667h;

DOI:10.1016/j.tetlet.2007.11.044

Reference yield: 87.9%

N,N-bis(tosyloxyethyl)-p-toluenesulfonamide (16695-22-0) + benzylamine (100-46-9) → N-benzyl-N'-tozylpiperazine (95558-32-0)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux; Inert atmosphere;

DOI:10.1016/j.molstruc.2020.129635

upstream raw materials:

N,N-bis(2-chloroethyl)-p-toluenesulfonamide

benzylamine

1-phenylmethylpiperazine

p-toluenesulfonyl chloride

Downstream raw materials:

N-isopropyloxycarbonyl-N'-tozylpiperazine

1-phenylmethylpiperazine

N-cyclopentyloxycarbonyl-N'-tozylpiperazine

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