1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine

Base Information

• Chemical Name: 1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine
• CAS No.: 845616-10-6
• Molecular Formula: C₁₁H₁₅FN₂O₂S
• Molecular Weight: 258.317
• Hs Code.: 2933599090
• European Community (EC) Number: 674-387-5
• DSSTox Substance ID: DTXSID50382247
• Wikidata: Q82173559
• Mol file: 845616-10-6.mol

Synonyms:845616-10-6;1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine;1-(2-fluoro-4-methylsulfonylphenyl)piperazine;1-[2-fluoro-4-(methylsulphonyl)phenyl]piperazine;Piperazine,1-[2-fluoro-4-(methylsulfonyl)phenyl]-;MFCD03648602;1-(2-Fluoro-4-(methylsulfonyl)phenyl)piperazine;MixCom4_000282;Peakdale2_000541;SCHEMBL2573793;DTXSID50382247;CMYAOPCJWBOQNZ-UHFFFAOYSA-N;AKOS015854344;IDI1_002026;SY272616;CS-0357650;FT-0676965;1-(2-Fluoro-4-methanesulfonyl-phenyl)-piperazine;SR-01000384615;SR-01000384615-1;1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine, AldrichCPR

Chemical Property of 1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine

Chemical Property:

• Melting Point: 115℃
• PSA: 57.79000
• LogP: 2.11340
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 258.08382706
• Heavy Atom Count: 17
• Complexity: 349

Purity/Quality:

98%min ^*data from raw suppliers

1-[2-Fluoro-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)F

Technology Process of 1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine

There total 1 articles about 1-[2-Fluoro-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:

piperazine (110-85-0) + 1,2-difluoro-4-(methylsulfonyl)benzene (424792-57-4) → 1-(2-fluoro-4-methanesulfonyl-phenyl)-piperazine (845616-10-6)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 90 ℃; for 5h;

Reference yield:

1-(2-fluoro-4-methanesulfonyl-phenyl)-piperazine (845616-10-6) + C21H31N5O + 1,1'-carbonyldiimidazole (530-62-1) → C33H44FN7O4S

Guidance literature:

C₂₁H₃₁N₅O; 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 0 ℃;

1-(2-fluoro-4-methanesulfonyl-phenyl)-piperazine; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2016.01.026

upstream raw materials:

piperazine

1,2-difluoro-4-(methylsulfonyl)benzene

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