1-(Phenylsulfonyl)piperazine

Base Information

• Chemical Name: 1-(Phenylsulfonyl)piperazine
• CAS No.: 14172-55-5
• Molecular Formula: C10H14N2O2S
• Molecular Weight: 226.299
• Hs Code.: 29339900
• European Community (EC) Number: 675-198-0
• DSSTox Substance ID: DTXSID00355603
• Wikidata: Q72445122
• ChEMBL ID: CHEMBL1877230
• Mol file: 14172-55-5.mol

Synonyms:1-(phenylsulfonyl)piperazine;14172-55-5;1-(benzenesulfonyl)piperazine;1-Benzenesulfonyl-piperazine;1-benzenesulfonyl piperazine;1-Benzenesulfonylpiperazine;Piperazine, 1-(phenylsulfonyl)-;1-(phenylsulphonyl)piperazine;1-Phenylsulfonyl-piperazine;MFCD02182804;Piperazine,1-(phenylsulfonyl)-;Enamine_004678;benzenesulfonyl piperazine;4-Phenylsulfonylpiperazine;4-benzenesulfonylpiperazine;1-benzenesulphonylpiperazine;Oprea1_134321;Oprea1_632679;SCHEMBL17246;MLS001077195;CHEMBL1877230;DTXSID00355603;HMS1407E14;HMS2800N06;STK365160;AKOS000264125;AB10166;CS-W000283;FS-1689;NCGC00181868-01;SMR000472978;[(1,1-Dimethylpropyl)amino](oxo)aceticacid;BB 0248089;FT-0653009;EN300-31943;J-007539;Z56870732;F1986-0009

Chemical Property of 1-(Phenylsulfonyl)piperazine

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 6.76E-06mmHg at 25°C
• Melting Point: 111-112°C
• Boiling Point: 377.4 °C at 760 mmHg
• PKA: 7.86±0.10(Predicted)
• Flash Point: 182.1 °C
• PSA: 57.79000
• Density: 1.251 g/cm³
• LogP: 1.62800
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.07759887
• Heavy Atom Count: 15
• Complexity: 285

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(Phenylsulfonyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)S(=O)(=O)C2=CC=CC=C2

Technology Process of 1-(Phenylsulfonyl)piperazine

There total 11 articles about 1-(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: 100.0%

piperazine (110-85-0) + benzenesulfonyl chloride (98-09-9) → 1-(phenylsulphonyl)piperazine (14172-55-5)

Guidance literature:

In dichloromethane; at 0 ℃;

DOI:10.1021/jm201294r

Reference yield: 77.0%

1‐(4‐chlorophenylsulfonyl)piperazine (16017-53-1) → 1-(phenylsulphonyl)piperazine (14172-55-5)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; triethylsilane; triethylamine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 1,4-dioxane; at 100 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.tetlet.2013.06.063

Reference yield: 62.0%

N-(methanesulfonyl)-N'-(benzenesulfonyl)-piperazine (488716-03-6) → 1-(phenylsulphonyl)piperazine (14172-55-5)

Guidance literature:

N-(methanesulfonyl)-N'-(benzenesulfonyl)-piperazine; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at 0 ℃; for 0.25h; Inert atmosphere;

With oxygen; In tetrahydrofuran; hexane; at 20 ℃; for 1h;

With water; In tetrahydrofuran; hexane;

DOI:10.1021/ol100086j

upstream raw materials:

1-Benzolsulfonyl-4-ethoxycarbonyl-piperazin

piperazinium

N-fluorobis(benzenesulfon)imide

tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate

Downstream raw materials:

4-methylpiperazin-1-ylbenzenesulfonamide

{3-[2-(4-Benzenesulfonylpiperazin-1-yl)ethoxy]phenyl}-(2-methylquinolin-4-yl)amine

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

2-((4-(phenylsulfonyl)piperazin-1-yl)methyl)naphthalen-1-ol

Refernces

• 1、 -. "Myricetin derivative containing sulfonyl piperazine as well as preparation method and application thereof". Paragraph 0029; 0035-0036. . Retrieved 2021/01/24.
• 2、 Alvala, Mallika,Babu, Bathini Nagendra,Devi, Ganthala Parimala,Godugu, Chandraiah,Manasa, Kesari Lakshmi,Nagesh, Narayana,Sigalapalli, Dilep Kumar,Thatikonda, Sowjanya,Vuppaladadium, Sowmya. "Design and synthesis of substituted (1-(benzyl)-1: H -1,2,3-triazol-4-yl)(piperazin-1-yl)methanone conjugates: Study on their apoptosis inducing ability and tubulin polymerization inhibition". supporting information. p. 1295 - 1302. Retrieved 2020/12/01.