1-(2-Chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

Base Information

• Chemical Name: 1-(2-Chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
• CAS No.: 57061-71-9
• Molecular Formula: C13H16ClF3N2
• Molecular Weight: 292.732
• DSSTox Substance ID: DTXSID00460302
• Wikidata: Q82284304

Synonyms:1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;670234-47-6;1-(2-chloroethyl)-4-(3-(trifluoromethyl)phenyl)piperazine;1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane;SCHEMBL562405;DTXSID00460302;Piperazine, 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]-;AKOS010540803;1-(2-Chloroethyl)-4-(3-trifluoromethylphenyl)piperazine;1-(2-Chloro-ethyl)-4-(3-trifluoromethyl-phenyl)-piperazine

Chemical Property of 1-(2-Chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

Chemical Property:

• Boiling Point: 352.6 °C at 760 mmHg
• Flash Point: 167.1 °C
• PSA: 6.48000
• Density: 1.244 g/cm³
• LogP: 4.67310
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 292.0954107
• Heavy Atom Count: 19
• Complexity: 278

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCl)C2=CC=CC(=C2)C(F)(F)F

Technology Process of 1-(2-Chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

There total 8 articles about 1-(2-Chloroethyl)-4-[3-(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%

N-2-hydroxyethyl-N'-(3-trifluoromethylphenyl)-piperazine (40004-29-3) → 1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane (57061-71-9)

Guidance literature:

With thionyl chloride; In dichloromethane; for 2h; Reagent/catalyst; Solvent; Cooling with ice; Reflux;

Reference yield: 79.0%

1-Bromo-2-chloroethane (107-04-0) + 1-(3-Trifluoromethylphenyl)piperazine (15532-75-9) → 1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane (57061-71-9)

Guidance literature:

With sodium hydroxide; In acetone; at 20 ℃; for 48h;

Reference yield: 60.0%

2-chloro-1-[4-(3-trifluoromethylphenyl)-1-piperazinyl]ethan-1-one → 1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane (57061-71-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 40 ℃; for 0.5h;

DOI:10.1021/jm800928j

upstream raw materials:

1-Bromo-2-chloroethane

1-(3-Trifluoromethylphenyl)piperazine

1-[3-(trifluoromethyl)phenyl]piperazine hydrochloride

N-2-hydroxyethyl-N'-(3-trifluoromethylphenyl)-piperazine

Downstream raw materials:

3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one

6-Acetyl-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one

6-Propionyl-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one

6-Benzoyl-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one

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