4-Phenyl-1-(p-tolylsulphonyl)piperazine

Base Information

• Chemical Name: 4-Phenyl-1-(p-tolylsulphonyl)piperazine
• CAS No.: 4004-96-0
• Molecular Formula: C17H20 N2 O2 S
• Molecular Weight: 316.424
• Hs Code.: 2933599090
• European Community (EC) Number: 223-655-6
• DSSTox Substance ID: DTXSID30960502
• Nikkaji Number: J217.822B
• ChEMBL ID: CHEMBL126731
• Mol file: 4004-96-0.mol

Synonyms:4004-96-0;1-[(4-methylphenyl)sulfonyl]-4-phenylpiperazine;4-Phenyl-1-(p-tolylsulphonyl)piperazine;1-phenyl-4-tosylpiperazine;1-(4-methylphenyl)sulfonyl-4-phenylpiperazine;CHEMBL126731;1-Phenyl-4-(toluene-4-sulfonyl)-piperazine;EINECS 223-655-6;Piperazine, 1-((4-methylphenyl)sulfonyl)-4-phenyl-;Piperazine, 1-[(4-methylphenyl)sulfonyl]-4-phenyl-;1-((4-METHYLPHENYL)SULFONYL)-4-PHENYLPIPERAZINE;Cambridge id 5344268;Oprea1_061866;Oprea1_696896;MLS001208145;SCHEMBL10722295;DTXSID30960502;HMS2848D09;BDBM50001419;STL260106;AKOS000670753;NCGC00245141-01;SMR000514394;VU0015192-2;AG-670/36000057;1-(4-Methylbenzene-1-sulfonyl)-4-phenylpiperazine;Z45509919;F1452-0143

Chemical Property of 4-Phenyl-1-(p-tolylsulphonyl)piperazine

Chemical Property:

• Vapor Pressure: 1.75E-09mmHg at 25°C
• Boiling Point: 482.9°Cat760mmHg
• Flash Point: 245.9°C
• PSA: 49.00000
• Density: 1.234g/cm³
• LogP: 3.58960
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 316.12454906
• Heavy Atom Count: 22
• Complexity: 438

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Phenyl-1-(p-tolylsulphonyl)piperazine

There total 9 articles about 4-Phenyl-1-(p-tolylsulphonyl)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: 94.0%

4-phenyl-1-piperazine (92-54-6) + p-toluenesulfonyl chloride (98-59-9) → ethyl 3-phenyl-2-(4-tosylpiperazin-1-yl)propanoate (4004-96-0)

Guidance literature:

With (Na₁₇₅₂K_0.144Ca₀₃₆₅Mg_0.065)(Al₂₀₄₄Si₂₇₇₄O₉₆)*19.16H₂O; In ethanol; at 25 - 30 ℃; for 0.0666667h; Sonication; Green chemistry;

DOI:10.1016/j.ultsonch.2013.07.012

Reference yield: 82.0%

C7H8O3S*C10H14N2 → ethyl 3-phenyl-2-(4-tosylpiperazin-1-yl)propanoate (4004-96-0)

Guidance literature:

C₇H₈O₃S*C₁₀H₁₄N₂; With 1,3,5-trichloro-2,4,6-triazine; In acetonitrile; at 20 ℃; for 0.5h;

With triethylamine; In acetonitrile;

DOI:10.1055/s-0029-1217020

Reference yield: 80.0%

4-phenyl-1-piperazine (92-54-6) + sodium 4-methylbenzenesulfinate (824-79-3) → ethyl 3-phenyl-2-(4-tosylpiperazin-1-yl)propanoate (4004-96-0)

Guidance literature:

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

DOI:10.1016/j.tetlet.2018.05.017

upstream raw materials:

4-phenyl-1-piperazine

p-toluenesulfonyl chloride

bis(2-bromoethyl)amine hydrobromide

aniline

Downstream raw materials:

4-phenyl-1-piperazine

Refernces

• 1、 Jones, Caroline S.,Bull, Steven D.,Williams, Jonathan M. J.. "DBN hexafluorophosphate salts as convenient sulfonylating and phosphonylating agents". supporting information. p. 8452 - 8456. Retrieved 2016/09/28.
• 2、 Huang, Jianying,Xu, Weiyuan,Xie, Hujun,Li, Shijun. "One-step cyclization: Synthesis of N -heteroalkyl-N′-tosylpiperazines". . p. 7506 - 7511. Retrieved 2012/10/29.