1-(2-Trifluoromethoxyphenyl)piperazine

Base Information

• Chemical Name: 1-(2-Trifluoromethoxyphenyl)piperazine
• CAS No.: 186386-95-8
• Molecular Formula: C11H13F3N2O
• Molecular Weight: 246.10
• DSSTox Substance ID: DTXSID30444438
• Wikidata: Q72511523
• Mol file: 186386-95-8.mol

Synonyms:186386-95-8;1-(2-trifluoromethoxyphenyl)piperazine;1-[2-(trifluoromethoxy)phenyl]piperazine;1-(2-(trifluoromethoxy)phenyl)piperazine;1-[2-(Trifluoromethoxy)phenyl]-piperazine-;1-(2-TRIFLUOROMETHOXY-PHENYL)-PIPERAZINE;SCHEMBL2089531;DTXSID30444438;1-(2-trifluoromethoxyphenyl)piperaine;AKOS005948460;1-[2-(trifluoromethoxy)phenyl]-Piperazine;EN300-1929670

Chemical Property of 1-(2-Trifluoromethoxyphenyl)piperazine

Chemical Property:

• Boiling Point: 293.683 °C at 760 mmHg
• Flash Point: 131.415 °C
• PSA: 24.50000
• Density: 1.243 g/cm³
• LogP: 2.38860
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 246.09799753
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

1-(2-(TRIFLUOROMETHOXY)PHENYL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2OC(F)(F)F

Technology Process of 1-(2-Trifluoromethoxyphenyl)piperazine

There total 5 articles about 1-(2-Trifluoromethoxyphenyl)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: 80.0%

piperazine (110-85-0) + o-chloro-α,α,α-trifluoromethoxybenzene (450-96-4) → 1-(2-trifluoromethoxyphenyl)-piperazine (186386-95-8)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2-dicyclohexylphosphino-2′,6′-di-i-propoxy-1,1′-biphenyl; sodium t-butanolate; In 1,4-dioxane; at 100 ℃; for 0.166667h; Temperature;

DOI:10.1021/acs.orglett.6b02591

Reference yield: 63.0%

2-trifluoromethoxy aniline (1535-75-7) + bis-(2-chloroethyl)amine hydrochloride (821-48-7) → 1-(2-trifluoromethoxyphenyl)-piperazine (186386-95-8)

Guidance literature:

at 20 - 165 ℃; neat (no solvent);

DOI:10.2174/157017811799304386

Reference yield:

tert-butyl 4-(2-(trifluoromethoxy)phenyl)piperazine-1-carboxylate → 1-(2-trifluoromethoxyphenyl)-piperazine (186386-95-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃;

DOI:10.1016/j.bmcl.2016.02.050

upstream raw materials:

2-trifluoromethoxy aniline

bis-(2-chloroethyl)amine hydrochloride

1-bromo-2-(trifluoromethoxy)benzene

piperazine

Downstream raw materials:

[1-(4-Chloro-phenyl)-cyclobutyl]-{3-[4-(2-trifluoromethoxy-phenyl)-piperazin-1-ylmethyl]-piperidin-1-yl}-methanone

8-{3-[4-(2-trifluoromethoxyphenyl)-1-piperazinyl]-propylcarbamoyl}-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran

1-[N-(2-trifluoromethoxyphenyl)-2-aminoethyl]-4-(2-trifluoromethoxyphenyl)piperazine

1-(2-hydroxyethyl)-4-(2-trifluoromethoxyphenyl)piperazine