5-[4-(TrifluoroMethyl)phenyl]-2-piperidone

Base Information

• Chemical Name: 5-[4-(TrifluoroMethyl)phenyl]-2-piperidone
• CAS No.: 87922-74-5
• Molecular Formula: C12H12F3NO
• Molecular Weight: 243.22500
• Mol file: 87922-74-5.mol

Synonyms:

Chemical Property of 5-[4-(TrifluoroMethyl)phenyl]-2-piperidone

Chemical Property:

• Boiling Point: 376.7±42.0 °C(Predicted)
• PKA: 15.95±0.40(Predicted)
• PSA: 29.10000
• Density: 1.236±0.06 g/cm3(Predicted)
• LogP: 3.02780

Purity/Quality:

99% ^*data from raw suppliers

5-[4-(Trifluoromethyl)phenyl]-2-piperidone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-[4-(TrifluoroMethyl)phenyl]-2-piperidone

There total 1 articles about 5-[4-(TrifluoroMethyl)phenyl]-2-piperidone 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:

C15H11F3N2O2 → 5-(4-(trifluoromethyl)phenyl)piperidin-2-one (87922-74-5)

Guidance literature:

With hydrogenchloride; palladium on activated carbon; water; hydrogen; In tetrahydrofuran; at 40 ℃; for 24h; under 37503.8 Torr; Autoclave;

DOI:10.1002/anie.202016771

Reference yield:

5-(4-(trifluoromethyl)phenyl)piperidin-2-one (87922-74-5) → 2-Oxo-7-(4-trifluoromethyl-phenyl)-3,4,6,7,8,9-hexahydro-2H-quinolizine-1-carboxylic acid methyl ester (75385-07-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) aq. K₂CO₃ / 1.) CH₂Cl₂, a) reflux, 4 h, b) RT, 15 h, 2.) CH₂Cl₂, RT, 2 h

2: p-toluenesulfonic acid / methanol / 20 h / Ambient temperature

With potassium carbonate; toluene-4-sulfonic acid; In methanol;

DOI:10.1021/jm00368a011

Reference yield:

5-(4-(trifluoromethyl)phenyl)piperidin-2-one (87922-74-5) → (2S,7R,9aR)-2-tert-Butyl-7-(4-trifluoromethyl-phenyl)-octahydro-quinolizin-2-ol (87922-66-5)

Guidance literature:

Multi-step reaction with 5 steps

1: 2.) aq. K₂CO₃ / 1.) CH₂Cl₂, a) reflux, 4 h, b) RT, 15 h, 2.) CH₂Cl₂, RT, 2 h

2: p-toluenesulfonic acid / methanol / 20 h / Ambient temperature

3: diisobutylaluminum hydride / 1,2-dimethoxy-ethane; toluene / 1 h / -30 - -20 °C

4: 6 N HCl / 3 h / Heating

5: tetrahydrofuran; pentane / 0.5 h / -75 °C

With hydrogenchloride; diisobutylaluminium hydride; potassium carbonate; toluene-4-sulfonic acid; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; toluene; pentane;

DOI:10.1021/jm00368a011

Downstream raw materials:

6-Ethoxy-3-(4-trifluoromethyl-phenyl)-2,3,4,5-tetrahydro-pyridine

(7S,9aS)-7-(4-Trifluoromethyl-phenyl)-octahydro-quinolizin-2-one

(1S,7S,9aS)-2-Oxo-7-(4-trifluoromethyl-phenyl)-octahydro-quinolizine-1-carboxylic acid methyl ester

2-Oxo-7-(4-trifluoromethyl-phenyl)-3,4,6,7,8,9-hexahydro-2H-quinolizine-1-carboxylic acid methyl ester

Refernces