1-(Toluene-4-sulfonyl)piperazine

Base Information

• Chemical Name: 1-(Toluene-4-sulfonyl)piperazine
• CAS No.: 27106-51-0
• Molecular Formula: C11H17N2O2S+
• Molecular Weight: 240.326
• Hs Code.: 2933599090
• European Community (EC) Number: 673-924-0
• DSSTox Substance ID: DTXSID70351591
• Nikkaji Number: J2.881.682K
• Wikidata: Q82128123
• ChEMBL ID: CHEMBL2448845
• Mol file: 27106-51-0.mol

Synonyms:27106-51-0;1-(toluene-4-sulfonyl)piperazine;1-Tosylpiperazine;1-(Toluene-4-sulfonyl)-piperazine;1-[(4-methylphenyl)sulfonyl]piperazine;1-(4-methylphenyl)sulfonylpiperazine;1-(4-methylbenzenesulfonyl)piperazine;Piperazine, 1-[(4-methylphenyl)sulfonyl]-;MFCD02018961;N'-tosylpiperazine;1-(4-methylphenyl)sulfonyl-2,3,5,6-tetrahydropyrazine;Oprea1_017904;Oprea1_454015;SCHEMBL651924;CHEMBL2448845;DTXSID70351591;HMS1695D10;STK397831;AKOS000264174;FS-1620;BB 0258723;CS-0167940;EU-0085999;FT-0638672;EN300-04702;SR-01000452117;J-503681;SR-01000452117-1;Z56870812

Chemical Property of 1-(Toluene-4-sulfonyl)piperazine

Chemical Property:

• Vapor Pressure: 3.31E-06mmHg at 25°C
• Melting Point: 97-100oC
• Boiling Point: 387.4°Cat760mmHg
• PKA: 7.90±0.10(Predicted)
• Flash Point: 188.1°C
• PSA: 57.79000
• Density: g/cm³
• LogP: 1.93640
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 240.09324893
• Heavy Atom Count: 16
• Complexity: 309

Purity/Quality:

97% ^*data from raw suppliers

1-(Toluene-4-sulfonyl)-piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2

Technology Process of 1-(Toluene-4-sulfonyl)piperazine

There total 13 articles about 1-(Toluene-4-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: 99.5%

piperazine (110-85-0) + p-toluenesulfonyl chloride (98-59-9) → 1-tosylpiperazine (27106-51-0)

Guidance literature:

With triethylamine; In benzene;

Reference yield: 85.0%

piperazine dihydrochloride (142-64-3,8006-71-1) + N-tosylimidazole (2232-08-8) → 1-tosylpiperazine (27106-51-0)

Guidance literature:

In ethanol; water; at 20 ℃; for 6.16667h;

DOI:10.1021/ol101604q

Reference yield: 84.0%

tert-butyl 4-tosylpiperazine-1-carboxylate (250331-04-5) → 1-tosylpiperazine (27106-51-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 0 - 20 ℃; for 16h;

DOI:10.1021/jm1008902

upstream raw materials:

piperazine

p-toluenesulfonyl chloride

4-nitrophenyl 4-methylbenzenesulfonate

1-vinyloxycarbonylpiperazine

Downstream raw materials:

1-chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane

2-[4-(4-methylbenzenesulfonyl)-1-piperazinomethyl]-3,5,6-trimethylpyrazine

5-nitro-7-((4-tosylpiperazin-1-yl)methyl)quinolin-8-ol

2-chloro-4-(4-tosylpiperazin-1-yl)quinazoline