5-(Trifluoromethyl)piperidin-2-one

Base Information

• Chemical Name: 5-(Trifluoromethyl)piperidin-2-one
• CAS No.: 50549-24-1
• Molecular Formula: C₆H₈F₃NO
• Molecular Weight: 167.131
• DSSTox Substance ID: DTXSID90585492

Synonyms:5-(trifluoromethyl)piperidin-2-one;50549-24-1;(5S)-5-(trifluoromethyl)piperidin-2-one;SCHEMBL1262601;DTXSID90585492;MFCD08444614;AKOS009114953;SB41682;BS-11741;(5R)-5-(trifluoromethyl)piperidin-2-one;CS-0094453;EN300-29977;D71982;Z228584834

Chemical Property of 5-(Trifluoromethyl)piperidin-2-one

Chemical Property:

• Boiling Point: 237.6±35.0 °C(Predicted)
• PKA: 15.18±0.40(Predicted)
• Density: 1.265±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 167.05579836
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

5-(trifluoromethyl)piperidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)NCC1C(F)(F)F

Technology Process of 5-(Trifluoromethyl)piperidin-2-one

There total 4 articles about 5-(Trifluoromethyl)piperidin-2-one 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: 89.0%

2-hydroxy-5-(trifluoromethyl)pyridine (33252-63-0) → 5-(trifluoromethyl)piperidin-2-one (50549-24-1)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid; for 9h; under 2585.81 Torr;

Reference yield: 89.0%

5-(trifluoromethyl)-2(1H)-pyridone (33252-63-0,79894-13-6) → 5-(trifluoromethyl)piperidin-2-one (50549-24-1)

Guidance literature:

With platinum(IV) oxide; hydrogen; In trifluoroacetic acid; at 20 ℃; under 760.051 Torr;

DOI:10.1021/acs.joc.9b03011

Reference yield:

C9H7F3N2O2 → 5-(trifluoromethyl)piperidin-2-one (50549-24-1)

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

upstream raw materials:

2-hydroxy-5-(trifluoromethyl)pyridine

5-(trifluoromethyl)-2(1H)-pyridone

Downstream raw materials:

DC-SX₀₂₉

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