2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol

Base Information

• Chemical Name: 2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol
• CAS No.: 16017-63-3
• Molecular Formula: C12H18 N2 O3 S
• Molecular Weight: 270.353
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60349927
• Wikidata: Q82125512
• ChEMBL ID: CHEMBL257075
• Mol file: 16017-63-3.mol

Synonyms:16017-63-3;2-(4-(phenylsulfonyl)piperazin-1-yl)ethanol;2-[4-(phenylsulfonyl)piperazino]-1-ethanol;2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol;2-[4-(Benzenesulfonyl)piperazin-1-yl]ethan-1-ol;2-[4-(phenylsulfonyl)piperazin-1-yl]ethanol;BAS 00623072;2-(4-Benzenesulfonyl-piperazin-1-yl)-ethanol;1-Piperazineethanol, 4-(phenylsulfonyl)-;TimTec1_002928;1-(2-hydroxyethyl)-4-(phenylsulfonyl)piperazine;Oprea1_453562;Oprea1_770905;MLS001209462;CHEMBL257075;SCHEMBL10979638;DTXSID60349927;HMS1542F02;HMS2836H13;MFCD01211968;STK049042;AKOS002910098;SMR000514808;CS-0156056;FT-0681155;2-[4-(phenylsulfonyl)-1-piperazinyl]ethanol;D83850;AG-690/11632137;SR-01000325910;J-505863;SR-01000325910-1;BRD-K03331866-001-01-2

Chemical Property of 2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol

Chemical Property:

• Vapor Pressure: 1.19E-08mmHg at 25°C
• Melting Point: 76 °C
• Refractive Index: 1.584
• Boiling Point: 443.6°Cat760mmHg
• PKA: 14.96±0.10(Predicted)
• Flash Point: 222.1°C
• PSA: 69.23000
• Density: 1.281g/cm³
• LogP: 0.94180
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 270.10381361
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

97% ^*data from raw suppliers

2-[4-(Phenylsulfonyl)piperazino]-1-ethanol >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCO)S(=O)(=O)C2=CC=CC=C2

Technology Process of 2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol

There total 4 articles about 2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol 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: 88.0%

1-(phenylsulfonyl)piperazine hydrochloride (412293-98-2) + 2-bromoethanol (540-51-2) → 2-(4-(phenylsulfonyl)piperazin-1-yl)ethan-1-ol (16017-63-3)

Guidance literature:

2-bromoethanol; With potassium carbonate; In acetonitrile; at 20 ℃; for 0.5h;

1-(phenylsulfonyl)piperazine hydrochloride; In acetonitrile; Reflux;

Reference yield: 76.0%

1-(2-hydroxyethyl)piperazine (103-76-4) + benzenesulfonyl chloride (98-09-9) → 2-(4-(phenylsulfonyl)piperazin-1-yl)ethan-1-ol (16017-63-3)

Guidance literature:

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

DOI:10.1016/j.bmcl.2007.11.038

Reference yield:

tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate (253175-69-8) → 2-(4-(phenylsulfonyl)piperazin-1-yl)ethan-1-ol (16017-63-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / 1,4-dioxane / 2 h / 20 °C

2.1: potassium carbonate / acetonitrile / 0.5 h / 20 °C

2.2: Reflux

With hydrogenchloride; potassium carbonate; In 1,4-dioxane; acetonitrile;

upstream raw materials:

1-(2-hydroxyethyl)piperazine

benzenesulfonyl chloride

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

1-(phenylsulfonyl)piperazine hydrochloride

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