1-Benzyl-3-chloropiperidine

Base Information

• Chemical Name: 1-Benzyl-3-chloropiperidine
• CAS No.: 54436-59-8
• Molecular Formula: C12H16ClN
• Molecular Weight: 209.719
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70483629
• Nikkaji Number: J3.248.993A
• Mol file: 54436-59-8.mol

Synonyms:1-Benzyl-3-chloropiperidine;54436-59-8;1-BENZYL-3-CHLORO-PIPERIDINE;SCHEMBL4815665;DTXSID70483629;CAZPTZSOOQVBMU-UHFFFAOYSA-N;MFCD11858455;AKOS012693022;AB60800;SB37606;AM100933;CS-0315844;D87718;A870452

Chemical Property of 1-Benzyl-3-chloropiperidine

Chemical Property:

• PSA: 3.24000
• LogP: 2.82770
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 209.0971272
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-3-chloropiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CN(C1)CC2=CC=CC=C2)Cl

Technology Process of 1-Benzyl-3-chloropiperidine

There total 6 articles about 1-Benzyl-3-chloropiperidine 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: 82.0%

N-benzylpent-4-en-1-amine (54436-58-7) → 1-benzyl-3-chloropiperidine (54436-59-8,1354017-94-9)

Guidance literature:

With copper(II) choride dihydrate; In tetrahydrofuran; at 20 ℃; for 21h; Reflux;

DOI:10.1016/j.tet.2013.05.022

Reference yield: 56.0%

N-benzylpent-4-en-1-amine (54436-58-7) → 1-benzyl-2-(chloromethyl)pyrrolidine (128574-35-6,1226950-67-9,161564-02-9) + 1-benzyl-3-chloropiperidine (54436-59-8,1354017-94-9)

Guidance literature:

With copper(II) chloride dihydrate; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1002/adsc.201200352

Reference yield: 12.0%

C12H16ClN (54436-55-4) + N-(quinolin-8-yl)but‐3‐enamide → 1-benzyl-3-chloropiperidine (54436-59-8,1354017-94-9) + C25H28ClN3O

Guidance literature:

With copper(l) iodide; In toluene; at 70 ℃; for 0.5h; Schlenk technique; Inert atmosphere; Darkness;

DOI:10.1021/jacs.9b07607

upstream raw materials:

(S)-N-benzylprolinol

1-azabicyclo[3.1.0]hexane

benzyl chloride

N-benzylpent-4-en-1-amine

Downstream raw materials:

1-[(1-benzylpyrrolidin-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine