2-[4-(Trifluoromethyl)phenyl]piperidine

Base Information

• Chemical Name: 2-[4-(Trifluoromethyl)phenyl]piperidine
• CAS No.: 526182-95-6
• Molecular Formula: C12H14F3N
• Molecular Weight: 229.2414696
• DSSTox Substance ID: DTXSID101279340
• Mol file: 526182-95-6.mol

Synonyms:2-[4-(trifluoromethyl)phenyl]piperidine;526182-95-6;2-(4-(trifluoromethyl)phenyl)piperidine;1228543-05-2;2-(4-trifluoromethylphenyl)-piperidine;SCHEMBL2706698;BPIPNPGHOKSKPH-UHFFFAOYSA-N;DTXSID101279340;BWA18295;AM9019;MFCD05190075;AKOS000188805;AKOS016904175;EN300-65427;N12828;Z317025234

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

Chemical Property:

• Boiling Point: 274.0±40.0 °C(Predicted)
• PKA: 9.22±0.10(Predicted)
• PSA: 0.00000
• Density: 1.145±0.06 g/cm3(Predicted)
• LogP: 0.00000
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 229.10783394
• Heavy Atom Count: 16
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCNC(C1)C2=CC=C(C=C2)C(F)(F)F

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

There total 13 articles about 2-[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: 94.0%

2-(4-trifluoromethylphenyl)pyridine (203065-88-7) → (+/-)-2-(4-trifluoromethylphenyl)-piperidine (526182-95-6)

Guidance literature:

With hydrogen; In water; isopropyl alcohol; at 135 ℃; for 48h; under 37503.8 Torr; Autoclave;

DOI:10.1002/anie.202004674

Reference yield:

6-(4-trifluoromethyl-phenyl)-2,3,4,5-tetrahydro-pyridine → (+/-)-2-(4-trifluoromethylphenyl)-piperidine (526182-95-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; water; at 18 - 22 ℃;

DOI:10.1021/ol035746r

Reference yield:

2-oxopiperidine-1-carboxylic acid tert-butyl ester (85908-96-9) → (+/-)-2-(4-trifluoromethylphenyl)-piperidine (526182-95-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Mg; I₂ / tetrahydrofuran / 1 h / Heating

1.2: 28 percent / tetrahydrofuran / -70 - 20 °C

2.1: TFA / 2 h / 18 - 22 °C

3.1: 52 mg / NaBH₄ / H₂O; methanol / 18 - 22 °C

With sodium tetrahydroborate; iodine; magnesium; trifluoroacetic acid; In tetrahydrofuran; methanol; water;

DOI:10.1021/ol035746r

upstream raw materials:

piperidin-2-one

2-oxopiperidine-1-carboxylic acid tert-butyl ester

(5-oxo-5-(4-trifluoromethylphenyl)-pentyl)-carbamic acid tert-butyl ester

4-(trifluoromethyl)phenylmagnesium bromide

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