2-(4-Trifluoromethylphenyl)piperazine

Base Information

• Chemical Name: 2-(4-Trifluoromethylphenyl)piperazine
• CAS No.: 185110-19-4
• Molecular Formula: C11H13 F3 N2
• Molecular Weight: 230.23
• Hs Code.: 2933599590
• European Community (EC) Number: 803-226-5
• DSSTox Substance ID: DTXSID80394752
• Mol file: 185110-19-4.mol

Synonyms:2-(4-Trifluoromethylphenyl)piperazine;185110-19-4;2-[4-(trifluoromethyl)phenyl]piperazine;2-(4-(Trifluoromethyl)phenyl)piperazine;2-(4-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE;2-(4-Trifluoromethyl-phenyl)-piperazine 2HCl;Piperazine,2-[4-(trifluoromethyl)phenyl]-;Piperazine, 2-[4-(trifluoromethyl)phenyl]-;SCHEMBL1638129;DTXSID80394752;MFCD05864678;AKOS015852998;2-(4-Trifluoromethyl-phenyl)piperazine;2-(4-trifluoromethylphenyl)-piperazine;AB36282;AB36283;FS-2835;PB27708;4-[P-(BENZYLOXY)PHENYL]CYCLOHEXANONE;CS-0054834;FT-0655044;(2R)-2-[4-(trifluoromethyl)phenyl]piperazine;(2S)-2-[4-(trifluoromethyl)phenyl]piperazine;(+/-)-2-[4-(Trifluoromethyl)phenyl]piperazine;2-(4-trifluoromethylphenyl)piperazine, AldrichCPR;A812924;1213501-24-6;1213697-73-4

Chemical Property of 2-(4-Trifluoromethylphenyl)piperazine

Chemical Property:

• Vapor Pressure: 0.00102mmHg at 25°C
• Refractive Index: 1.468
• Boiling Point: 302°C at 760 mmHg
• PKA: 8.55±0.40(Predicted)
• Flash Point: 136.4°C
• PSA: 24.06000
• Density: 1.173g/cm³
• LogP: 2.59690
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 230.10308291
• Heavy Atom Count: 16
• Complexity: 222

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Trifluoromethylphenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(CN1)C2=CC=C(C=C2)C(F)(F)F

Technology Process of 2-(4-Trifluoromethylphenyl)piperazine

There total 2 articles about 2-(4-Trifluoromethylphenyl)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:

2-(4-(trifluoromethyl)phenyl)pyrazine (380626-88-0) → 2-[4-(trifluoromethyl)phenyl] piperazine (185110-19-4)

Guidance literature:

With hydrogen; acetic acid; palladium diacetate; for 4h;

Reference yield:

4-trifluoromethylphenylboronic acid (128796-39-4) → 2-[4-(trifluoromethyl)phenyl] piperazine (185110-19-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 1 h / Heating / reflux

2: hydrogen; acetic acid / palladium diacetate / 4 h

With hydrogen; sodium carbonate; acetic acid; palladium diacetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane;

Reference yield:

2-[4-(trifluoromethyl)phenyl] piperazine (185110-19-4) + bromoacetic acid methyl ester (96-32-2) → methyl {3-[4-(trifluoromethyl)phenyl]piperazin-1-yl}acetate (884603-23-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃;

upstream raw materials:

2-(4-(trifluoromethyl)phenyl)pyrazine

4-trifluoromethylphenylboronic acid

Downstream raw materials:

methyl {3-[4-(trifluoromethyl)phenyl]piperazin-1-yl}acetate

Refernces