1-[2-(2,2,2-Trifluoroethoxy)phenyl]piperazine

Base Information

• Chemical Name: 1-[2-(2,2,2-Trifluoroethoxy)phenyl]piperazine
• CAS No.: 178671-99-3
• Molecular Formula: C12H15 F3 N2 O
• Molecular Weight: 260.259
• DSSTox Substance ID: DTXSID901254192
• Nikkaji Number: J1.324.296H
• Mol file: 178671-99-3.mol

Synonyms:1-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine;178671-99-3;1-[2-(2,2,2-TRIFLUORO-ETHOXY)-PHENYL]-PIPERAZINE D;1-(2-(2,2,2-trifluoroethoxy)phenyl]piperazine;SCHEMBL5473619;DTXSID901254192;AKOS010941773;1-[2-(2,2,2-trifluoroethoxy)pheny]piperazine;4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine;1-[2-(2,2,2-trifluoroethoxy)phenyl]-piperazine

Chemical Property of 1-[2-(2,2,2-Trifluoroethoxy)phenyl]piperazine

Chemical Property:

• PSA: 24.50000
• LogP: 2.43110
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 260.11364759
• Heavy Atom Count: 18
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2OCC(F)(F)F

Technology Process of 1-[2-(2,2,2-Trifluoroethoxy)phenyl]piperazine

There total 3 articles about 1-[2-(2,2,2-Trifluoroethoxy)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: 87.3%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 2-(2',2',2'-trifluoroethoxy)aniline (57946-60-8) → 1-[2-(2,2,2-trifluoroethoxy)-phenyl]-piperazine (178671-99-3)

Guidance literature:

In 1,2-dichloro-benzene; hexan-1-ol; at 185 ℃; for 5h;

Reference yield:

1-(2,2,2-trifluoroethoxy)-2-nitrobenzene (87014-28-6) → 1-[2-(2,2,2-trifluoroethoxy)-phenyl]-piperazine (178671-99-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / ethanol / 16 h / 760 Torr

2: NaI, K₂CO₃ / bis-(2-methoxy-ethyl) ether / 3.5 h / Heating

With hydrogen; potassium carbonate; sodium iodide; palladium on activated charcoal; In ethanol; diethylene glycol dimethyl ether;

DOI:10.1021/jm970166j

Reference yield:

2-hydroxynitrobenzene (88-75-5,78813-12-4) → 1-[2-(2,2,2-trifluoroethoxy)-phenyl]-piperazine (178671-99-3)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / dimethylformamide / 15 h / 140 °C

2: H₂ / 10percent Pd/C / ethanol / 16 h / 760 Torr

3: NaI, K₂CO₃ / bis-(2-methoxy-ethyl) ether / 3.5 h / Heating

With hydrogen; potassium carbonate; sodium iodide; palladium on activated charcoal; In ethanol; diethylene glycol dimethyl ether; N,N-dimethyl-formamide;

DOI:10.1021/jm970166j

upstream raw materials:

bis-(2-chloroethyl)amine hydrochloride

2-(2',2',2'-trifluoroethoxy)aniline

1-(2,2,2-trifluoroethoxy)-2-nitrobenzene

2-hydroxynitrobenzene

Downstream raw materials:

1-[2-(2,2,2-trifluoroethoxy)-phenyl]-4-[3-(N-phthalimido)-propyl]-piperazine

8-Chloro-4-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-phenyl]-piperazin-1-yl}-propylamino)-quinoline-3-carboxylic acid ethyl ester

3-benzyloxy-2,2-dimethyl-1-{4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl}-1-propanone

3-benzyl-5-methyl-1-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-phenyl]-piperazin-1-yl}-propyl)-1H-pyrimidine-2,4-dione