1-[3-(Trifluoromethyl)phenyl]piperazine

Base Information

• Chemical Name: 1-[3-(Trifluoromethyl)phenyl]piperazine
• CAS No.: 15532-75-9
• Molecular Formula: C11H13F3N2
• Molecular Weight: 230.233
• Hs Code.: 29335995
• European Community (EC) Number: 239-574-4
• NSC Number: 128882
• UNII: 25R3ONU51C
• DSSTox Substance ID: DTXSID10165876
• Nikkaji Number: J209.034A
• Wikipedia: Trifluoromethylphenylpiperazine
• Wikidata: Q419405
• Pharos Ligand ID: N8AHTXWV2Y1Z
• ChEMBL ID: CHEMBL274866
• Mol file: 15532-75-9.mol

Synonyms:1-(3-trifluoromethylphenyl)piperazine;1-(m-trifluoromethylphenyl)piperazine;TFMPP

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 1-[3-(Trifluoromethyl)phenyl]piperazine

Chemical Property:

• Appearance/Colour: clear colourless to yellow slightly viscous liquid
• Vapor Pressure: 0.000797mmHg at 25°C
• Refractive Index: n20/D 1.521(lit.)
• Boiling Point: 305.9 ºC at 760 mmHg
• PKA: 8.88±0.10(Predicted)
• Flash Point: 138.8 °C
• PSA: 15.27000
• Density: 1.203 g/cm³
• LogP: 2.50880
• Storage Temp.: -20°C
• Sensitive.: Air Sensitive
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 230.10308291
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[3-(Trifluoromethyl)phenyl]piperazine

There total 13 articles about 1-[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: 97.0%

→ 1-(3-Trifluoromethylphenyl)piperazine (15532-75-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 86.0%

piperazine (110-85-0) + 3-chlorotrifluoromethylbenzene (98-15-7) → 1-(3-Trifluoromethylphenyl)piperazine (15532-75-9) + 1,4-bis[(3-trifluoromethyl)phenyl]piperazine

Guidance literature:

With polymethylhydrosiloxane; sodium t-butanolate; bis(acetylacetonate)nickel(II); In 1,2-dimethoxyethane; toluene; at 130 ℃; for 18h;

DOI:10.1021/jo702219f

Reference yield: 77.0%

piperazine (110-85-0) + 3-bromo-1-trifluoromethylbenzene (401-78-5) → 1-(3-Trifluoromethylphenyl)piperazine (15532-75-9)

Guidance literature:

With potassium phosphate; johnphos; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In toluene; for 16h;

upstream raw materials:

3-trifluoromethylaniline

2-bromo-N(2-bromoethyl)-N-carbethoxy-ethanamine

piperazine

3-bromo-1-trifluoromethylbenzene

Downstream raw materials:

1-(2-Pyridin-2-yl-ethyl)-4-(3-trifluoromethyl-phenyl)-piperazine; compound with (Z)-but-2-enedioic acid

1-Cyanaminomethylen-4-piperazin

Ethylchlor<4-(3-trifluormethylphenyl)-piperazin-1-ylamido>phosphat

3-Methyl-3-N⁴-(m-trifluoromethylpiperazinyl)acrylophenone

Refernces

• 1、 Mishani, Eyal,Dence, Carmen S.,McCarthy, Timothy J.,Welch, Michael J.. "Formation of phenylpiperazines by a novel alumina supported bis-alkylation". . p. 319 - 322. Retrieved 1996.
• 2、 -. "MONOACYLGLYCEROL LIPASE INHIBITORS". Paragraph 0111-0112; 0141; 0153-0154; 0185-0186. . Retrieved 2021/09/09.
• 3、 Manolikakes, Georg,Gavryushin, Andrei,Knochel, Paul. "An efficient silane-promoted nickel-catalyzed amination of aryl and heteroaryl chlorides". . p. 1429 - 1434. Retrieved 2008/04/05.