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

Base Information

• Chemical Name: 1-Benzyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
• CAS No.: 231958-20-6
• Molecular Formula: C₁₈H₁₈ClN
• Molecular Weight: 283.801
• DSSTox Substance ID: DTXSID201177698
• Nikkaji Number: J2.611.451I
• Mol file: 231958-20-6.mol

Synonyms:231958-20-6;1-Benzyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine;1-benzyl-4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine;Pyridine, 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-;SCHEMBL10287534;DTXSID201177698;4-(4-Chlorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)pyridine

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

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 283.1127773
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 11 articles about 1-Benzyl-4-(4-chlorophenyl)-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: 94.0%

N-benzyl-4-(4-chlorophenyl)-4-hydroxypiperidin (56108-25-9) → 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-pyridine (231958-20-6)

Guidance literature:

With phosphorus pentoxide; In toluene; Heating;

DOI:10.1016/S0960-894X(00)00703-4

Reference yield: 85.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-Chlorophenylboronic acid (1679-18-1) + N-benzyl-4-amino-1-butyne (107301-61-1) → 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-pyridine (231958-20-6)

Guidance literature:

With [PdCp(η3-C3H5)]; potassium carbonate; dicyclohexylphenylphosphine; In tetrahydrofuran; water; at 50 ℃; for 1h;

DOI:10.1002/anie.200800823

Reference yield:

N-benzyl-4-(4-chlorophenyl)-4-hydroxypiperidin (56108-25-9) → 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-pyridine (231958-20-6) + N-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine: (324002-50-8)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at -78 ℃; Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(00)01610-5

upstream raw materials:

N-benzyl-4-(4-chlorophenyl)-4-hydroxypiperidin

1-phenylmethyl-4-piperidone

4-piperidone hydrochloride

benzyl bromide

Downstream raw materials:

4-(4-chlorophenyl)piperidine

N-benzyl-4-(4-chlorophenyl)-piperidine