1-[4-(Methylsulfonyl)phenyl]piperazine

Base Information

• Chemical Name: 1-[4-(Methylsulfonyl)phenyl]piperazine
• CAS No.: 187669-60-9
• Molecular Formula: C11H16 N2 O2 S
• Molecular Weight: 240.326
• Hs Code.: 2933599090
• European Community (EC) Number: 674-407-2
• DSSTox Substance ID: DTXSID20352876
• Wikidata: Q82130279
• ChEMBL ID: CHEMBL4543970
• Mol file: 187669-60-9.mol

Synonyms:1-[4-(methylsulfonyl)phenyl]piperazine;187669-60-9;1-(4-methylsulfonylphenyl)piperazine;1-(4-(methylsulfonyl)phenyl)piperazine;1-(4-methanesulfonylphenyl)piperazine;1-(4-methanesulfonyl-phenyl)-piperazine;1-[4-(methylsulphonyl)phenyl]piperazine;MixCom4_000241;Piperazine,1-[4-(methylsulfonyl)phenyl]-;Peakdale2_000513;Piperazine, 1-[4-(methylsulfonyl)phenyl]-;SCHEMBL532144;CHEMBL4543970;DTXSID20352876;KNQFDOLIXOOIGX-UHFFFAOYSA-N;BDBM496663;AAR-POS-5507155c-1;MFCD03648601;STK501205;1-(4-(methylsulfonyl)phenyl)piperazin;AKOS003599584;FS-1753;IDI1_001985;1-(4-(methyl-sulphonyl)phenyl)piperazine;CS-0134405;FT-0768808;C90139;EN300-1990143;SR-01000384611;1-[4-(methylsulfonyl)phenyl]piperazine, AldrichCPR;SR-01000384611-1;US7

Chemical Property of 1-[4-(Methylsulfonyl)phenyl]piperazine

Chemical Property:

• Melting Point: 136～138℃
• Boiling Point: 136～138℃
• PSA: 57.79000
• LogP: 1.97430
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.4
• 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:

98%Min ^*data from raw suppliers

1-[4-(Methylsulfonyl)phenyl]piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(Methylsulfonyl)phenyl]piperazine

There total 5 articles about 1-[4-(Methylsulfonyl)phenyl]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: 99.0%

→ 1-(4-methanesulfonyl-phenyl)-piperazine (187669-60-9)

Guidance literature:

Reference yield: 81.6%

benzyl 4-(4-methanesulfonylphenyl)piperazine-1-carboxylate → 1-(4-methanesulfonyl-phenyl)-piperazine (187669-60-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; dichloromethane; at 50 ℃; for 5h;

Reference yield: 52.0%

piperazine (110-85-0) + 4-bromoohenyl methyl sulfone (3466-32-8) → 1-(4-methanesulfonyl-phenyl)-piperazine (187669-60-9)

Guidance literature:

With manganese; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; 4-phenyl-N-methylpyridinium iodide; 4,4'-di-tert-butyl-2,2'-bipyridine; In dimethyl sulfoxide; at 80 ℃; for 8h; Reagent/catalyst; Inert atmosphere;

DOI:10.1002/chem.202002800

upstream raw materials:

piperazine

4-bromoohenyl methyl sulfone

1-(methylsufonyl)-4-fluorobenzene

1-benzyl-4-[4-(methylsulfonyl)phenyl]piperazine

Downstream raw materials:

C₂₇H₃₅N₃O₄S

(1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-[4-(methylsulfonyl)phenyl]piperazin-1-yl]carbonyl}cyclohexanecarboxamide

(1R,2R)-N-(cyanomethyl)-2-[4-(4-methylsulfonylphenyl)piperazine-1-carbonyl]cyclohexanecarboxamide

C₂HF₃O₂*C₂₃H₂₂ClN₅O₂S

Refernces

• 1、 -. "ADENOSINE RECEPTOR BINDING COMPOUNDS". Paragraph 00343. . Retrieved 2020/02/06.
• 2、 -. "PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME". Page/Page column 36. . Retrieved 2011/11/30.