1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Base Information

• Chemical Name: 1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
• CAS No.: 315239-67-9
• Molecular Formula: C₁₂H₁₄F₃N₃O₂
• Molecular Weight: 289.257
• DSSTox Substance ID: DTXSID50386361
• Wikidata: Q82179768
• Mol file: 315239-67-9.mol

Synonyms:1-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine;315239-67-9;SCHEMBL1265183;1-Methyl-4-(2-nitro-4-trifluoromethyl-phenyl)-piperazine;1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-piperazine;DTXSID50386361;MFCD00547908;STK054001;AKOS001038860;BB 0259752;AB00092939-01;6W-0851;Z31193780

Chemical Property of 1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Chemical Property:

• Boiling Point: 351.0±42.0 °C(Predicted)
• PKA: 7.27±0.42(Predicted)
• Density: 1.326±0.06 g/cm3(Predicted)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 289.10381118
• Heavy Atom Count: 20
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

1-METHYL-4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Technology Process of 1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

There total 2 articles about 1-Methyl-4-[2-nitro-4-(trifluoromethyl)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: 96.0%

→ 1-methyl-4-(2-nitro-4-trifluoromethyl-phenyl)-piperazine (315239-67-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 3h;

Reference yield:

1-methyl-piperazine (109-01-3) + 1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) → 1-methyl-4-(2-nitro-4-trifluoromethyl-phenyl)-piperazine (315239-67-9)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; at 70 ℃; for 14h;

DOI:10.1021/jm061112p

Reference yield: 82.0%

1-methyl-4-(2-nitro-4-trifluoromethyl-phenyl)-piperazine (315239-67-9) → 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline (685853-98-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 1h;

upstream raw materials:

1-methyl-piperazine

1-fluoro-2-nitro-4-trifluoromethyl-benzene

Downstream raw materials:

2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline

N-(2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl)-2-fluoro-5-iodobenzamide

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