4-[2-(Trifluoromethyl)phenyl]piperidine

Base Information

• Chemical Name: 4-[2-(Trifluoromethyl)phenyl]piperidine
• CAS No.: 308823-90-7
• Molecular Formula: C12H14F3N
• Molecular Weight: 229.245
• ChEMBL ID: CHEMBL2021619
• DSSTox Substance ID: DTXSID90465109
• Wikidata: Q72512469
• Mol file: 308823-90-7.mol

Synonyms:308823-90-7;4-[2-(trifluoromethyl)phenyl]piperidine;4-(2-(Trifluoromethyl)phenyl)piperidine;4-(2-trifluoromethyl-phenyl)-piperidine;CHEMBL2011554;SCHEMBL613612;CHEMBL2021619;DTXSID90465109;BDBM50379811;MFCD05189943;AKOS000209136;SB36508;CS-0450825;FT-0708226;EN300-148269;F13629;F2148-1660

Chemical Property of 4-[2-(Trifluoromethyl)phenyl]piperidine

Chemical Property:

• Boiling Point: 269.3±40.0℃ (760 Torr)
• PKA: 10.09±0.10(Predicted)
• Flash Point: 116.7±27.3℃
• PSA: 12.03000
• Density: 1.145±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 3.50120
• Storage Temp.: 2-8°C
• 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: 221

Purity/Quality:

97% ^*data from raw suppliers

4-[2-(Trifluoromethyl)phenyl]piperidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=CC=CC=C2C(F)(F)F

Technology Process of 4-[2-(Trifluoromethyl)phenyl]piperidine

There total 8 articles about 4-[2-(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: 70.0%

1-benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine (821768-10-9) → 4-(2-(trifluoromethyl)phenyl)piperidine (308823-90-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 96h; under 3102.89 Torr;

DOI:10.1021/jm0495071

Reference yield:

tert-Butyl 4-[2-(trifluoromethyl)phenyl]piperidinecarboxylate (308829-83-6) → 4-(2-(trifluoromethyl)phenyl)piperidine (308823-90-7)

Guidance literature:

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

DOI:10.1016/j.bmcl.2018.04.040

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 4-(2-(trifluoromethyl)phenyl)piperidine (308823-90-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-BuLi / hexane; tetrahydrofuran / 1.17 h / -78 - 0 °C

1.2: 63.6 percent / hexane; tetrahydrofuran / 2 h / -78 °C

2.1: 70 percent / H₂ / Pd/C / ethanol / 96 h / 3102.89 Torr

With n-butyllithium; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol; hexane;

DOI:10.1021/jm0495071

upstream raw materials:

1-benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine

1-phenylmethyl-4-piperidone

o-trifluoromethylphenyl bromide

4-Trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

C₂₆H₃₀F₃N₃O₂

C₂₁H₂₁F₃N₂O₃

2 (4-(2-(trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid

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