1-Benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine

Base Information

• Chemical Name: 1-Benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
• CAS No.: 163630-89-5
• Molecular Formula: C18H18 F N
• Molecular Weight: 267.346
• DSSTox Substance ID: DTXSID30435008
• Nikkaji Number: J2.045.880A
• Wikidata: Q82249666
• Mol file: 163630-89-5.mol

Synonyms:163630-89-5;1-BENZYL-4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE;1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine;Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-;SCHEMBL2395917;1-Benzyl-4-(4-fluorophenyl)-1,2,3,6 tetrahydropyridine;DTXSID30435008;FT-0721580;1-benzyl-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine;1-Benzyl-4-(4-fluorophenyl)-1,2,5,6-tetrahydro-pyridine;4(4-Fluorophenyl)-1,2,3,6-tetrahydro 1-(phenylmethyl)pyridine;4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)pyridine

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

Chemical Property:

• PSA: 3.24000
• LogP: 4.05290
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 267.142327740
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

1-BENZYL-4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC=C1C2=CC=C(C=C2)F)CC3=CC=CC=C3

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

There total 18 articles about 1-Benzyl-4-(4-fluorophenyl)-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: 100.0%

4-(p-fluorophenyl)-1,2,3,6-tetrahydropyridine (1978-59-2) + benzyl bromide (100-39-0) → 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)pyridine (163630-89-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

Reference yield: 96.0%

1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidine (163631-02-5) → 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)pyridine (163630-89-5)

Guidance literature:

With trifluoroacetic acid; for 1.5h; Heating;

DOI:10.1021/jm00011a019

Reference yield: 92.0%

1-benzyl-4-(benzyldimethylsilanyl)-1,2,3,6-tetrahydro-pyridine hydrochloride (936231-01-5) + 4-fluoro-1-iodobenzene (352-34-1) → 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)pyridine (163630-89-5)

Guidance literature:

With tetrabutyl ammonium fluoride; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/ol070241c

upstream raw materials:

1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidine

1-benzyl-4-(benzyldimethylsilanyl)-1,2,3,6-tetrahydro-pyridine hydrochloride

4-fluoro-1-iodobenzene

1-Bromo-4-fluorobenzene

Downstream raw materials:

4-(4-Fluoro-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid 2,2,2-trichloro-ethyl ester

4-(4-fluorophenyl)piperidine

1-(benzyl)-4-(p-fluorophenyl)piperidin-2-one