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

Base Information

• Chemical Name: 1-Benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine
• CAS No.: 821768-10-9
• Molecular Formula: C19H18F3N
• Molecular Weight: 317.354
• DSSTox Substance ID: DTXSID801147829

Synonyms:821768-10-9;1-benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine;1-benzyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;Pyridine, 1,2,3,6-tetrahydro-1-(phenylmethyl)-4-[2-(trifluoromethyl)phenyl]-;1-benzyl-4-[2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;SCHEMBL3219350;DTXSID801147829;1,2,3,6-Tetrahydro-1-(phenylmethyl)-4-[2-(trifluoromethyl)phenyl]pyridine

Chemical Property of 1-Benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 317.13913406
• Heavy Atom Count: 23
• Complexity: 409

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC=C1C2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3

Technology Process of 1-Benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine

There total 3 articles about 1-Benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine 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: 59.0%

1-benzyl-4-hydroxy-4-(2-tri-fluoromethylphenyl)piperidine (208989-32-6) → 1-benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine (821768-10-9)

Guidance literature:

1-benzyl-4-hydroxy-4-(2-tri-fluoromethylphenyl)piperidine; With thionyl chloride; for 2h;

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 1-benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine (821768-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: iodine; magnesium / tetrahydrofuran / Inert atmosphere; Reflux

1.2: 3 h / 20 °C / Inert atmosphere; Cooling with ice

2.1: hydrogenchloride / 9 h / Reflux

With hydrogenchloride; iodine; magnesium; In tetrahydrofuran; 1.1: Grignard reaction / 1.2: Grignard reaction;

DOI:10.1016/j.bmcl.2012.01.122

Reference yield:

o-trifluoromethylphenyl bromide (392-83-6) → 1-benzyl-4-(2-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridine (821768-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: iodine; magnesium / tetrahydrofuran / Inert atmosphere; Reflux

1.2: 3 h / 20 °C / Inert atmosphere; Cooling with ice

2.1: hydrogenchloride / 9 h / Reflux

With hydrogenchloride; iodine; magnesium; In tetrahydrofuran; 1.1: Grignard reaction / 1.2: Grignard reaction;

DOI:10.1016/j.bmcl.2012.01.122

upstream raw materials:

1-benzyl-4-hydroxy-4-(2-tri-fluoromethylphenyl)piperidine

1-phenylmethyl-4-piperidone

o-trifluoromethylphenyl bromide

Downstream raw materials:

4-[2-(trifluoromethyl)phenyl]piperidine hydrochloride

C₁₉H₁₈F₃N*ClH

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