4-(4-(Trifluoromethyl)phenyl)piperidine

Base Information

• Chemical Name: 4-(4-(Trifluoromethyl)phenyl)piperidine
• CAS No.: 67259-63-6
• Molecular Formula: C12H14F3N
• Molecular Weight: 229.245
• Hs Code.: 2933399990
• ChEMBL ID: CHEMBL2021655
• DSSTox Substance ID: DTXSID30498355
• Wikidata: Q72512471
• Mol file: 67259-63-6.mol

Synonyms:67259-63-6;4-(4-(Trifluoromethyl)phenyl)piperidine;4-[4-(trifluoromethyl)phenyl]piperidine;4-(4-TRIFLUOROMETHYL-PHENYL)-PIPERIDINE;Piperidine, 4-[4-(trifluoromethyl)phenyl]-;CHEMBL2011552;4-(4-Trifluoromethylphenyl)piperidine;4-[4-(trifluoromethyl)phenyl]-Piperidine;SCHEMBL373310;CHEMBL2021655;DTXSID30498355;NCTHTPOUYIEKLZ-UHFFFAOYSA-N;4-(4-Trifloromethylphenyl)piperidine;4-(p-trifluoromethylphenyl)piperidine;BDBM50379809;MFCD05189944;AKOS000208829;SB38234;BB 0254340;FT-0759494;EN300-150461;F13648;A835683;4-(4-(Trifluoromethyl)phenyl)piperidine, AldrichCPR;F8880-1361

Chemical Property of 4-(4-(Trifluoromethyl)phenyl)piperidine

Chemical Property:

• Vapor Pressure: 0.00482mmHg at 25°C
• Refractive Index: 1.469
• Boiling Point: 276.4 °C at 760 mmHg
• Flash Point: 121 °C
• PSA: 12.03000
• Density: 1.145 g/cm³
• LogP: 3.50120
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 229.10783394
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

98%Min ^*data from raw suppliers

4-(4-Trifluoromethyl-phenyl)-piperidine 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=CC=C(C=C2)C(F)(F)F
• Uses: 4-(4-Trifluoromethylphenyl)piperidine is used as a reactant in the preparation of N-arylheterocycles as MCH antagonists.

Technology Process of 4-(4-(Trifluoromethyl)phenyl)piperidine

There total 10 articles about 4-(4-(Trifluoromethyl)phenyl)piperidine 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: 95.0%

1,2,3,6-tetrahydro-4-(α,α,α-trifluoro-p-tolyl)pyridine (67259-64-7) → 4-(4-(trifluoromethyl)phenyl)piperidine (67259-63-6)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 2h; under 2327.23 Torr;

Reference yield:

4-(4-trifluoromethyl-phenyl)-pyridine (220000-88-4) → 4-(4-(trifluoromethyl)phenyl)piperidine (67259-63-6)

Guidance literature:

4-(4-trifluoromethyl-phenyl)-pyridine; With hydrogen; trifluoroacetic acid; 5% Pd(II)/C(eggshell); In methanol; at 30 ℃;

With sodium hydroxide; In water; pH=8 - 9;

Reference yield:

tert-butyl 4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate → 4-(4-(trifluoromethyl)phenyl)piperidine (67259-63-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2018.04.040

upstream raw materials:

1,2,3,6-tetrahydro-4-(α,α,α-trifluoro-p-tolyl)pyridine

p-trifluoromethylphenyl bromide

1-[4-(trifluoromethyl)phenyl]piperazine

4-(4-trifluoromethyl-phenyl)-pyridine

Downstream raw materials:

1-(4-Nitro-phenoxy)-3-[4-(4-trifluoromethyl-phenyl)-piperidin-1-yl]-propan-2-ol

3-(4-fluorophenyl)-2-(4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)quinoxaline-6-carboxylic acid

methyl 3-(4-fluorophenyl)-2-(4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)quinoxaline-6-carboxylate

methyl 2-phenyl-3-(4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)quinoxaline-6-carboxylate

Refernces

• 1、 Yang, Shaoning,Lu, Dingqiang,Ouyang, Pingkai. "Design, synthesis and evaluation of substituted piperidine based KCNQ openers as novel antiepileptic agents". . p. 1731 - 1735. Retrieved 2018/05/04.
• 2、 -. "HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK". . . Retrieved 2011/04/14.