4-(3-Chlorophenyl)piperidine

Base Information

• Chemical Name: 4-(3-Chlorophenyl)piperidine
• CAS No.: 99329-53-0
• Molecular Formula: C11H14 Cl N
• Molecular Weight: 195.692
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90400257
• Nikkaji Number: J1.211.865A
• Wikidata: Q72457356
• ChEMBL ID: CHEMBL2021644
• Mol file: 99329-53-0.mol

Synonyms:4-(3-chlorophenyl)piperidine;99329-53-0;Piperidine, 4-(3-chlorophenyl)-;SCHEMBL613293;CHEMBL2021644;DTXSID90400257;ZDA32953;MFCD03839906;AKOS012096024;AC-6653;SB43057;AS-60529;FT-0655233;EN300-193742;Q-103078

Chemical Property of 4-(3-Chlorophenyl)piperidine

Chemical Property:

• Vapor Pressure: 0.00214mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 290℃
• Flash Point: 129℃
• PSA: 12.03000
• Density: 1.095
• LogP: 3.13580
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 195.0814771
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Chlorophenyl)piperidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=CC(=CC=C2)Cl

Technology Process of 4-(3-Chlorophenyl)piperidine

There total 7 articles about 4-(3-Chlorophenyl)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: 81.0%

β-(chloro-3 phenyl) glutarimide (113675-65-3) → 4-(3-chlorophanyl)piperidine (99329-53-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1016/0223-5234(87)90272-8

Reference yield:

1,2,3,6-tetrahydropyridine (694-05-3) + chlorobenzene (108-90-7) → 4-(4-chlorophenyl)piperidine (26905-02-2) + 4-(2-chlorophenyl)piperidine (100129-35-9) + 4-(3-chlorophanyl)piperidine (99329-53-0)

Guidance literature:

With trifluorormethanesulfonic acid; at 25 ℃;

DOI:10.1016/S0040-4039(01)01130-3

Reference yield:

tert-butyl-4-(3-chlorophenyl)piperidine-1-carboxylate → 4-(3-chlorophanyl)piperidine (99329-53-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2018.04.040

upstream raw materials:

β-(chloro-3 phenyl) glutarimide

1,2,3,6-tetrahydropyridine

chlorobenzene

acide (chloro-3 phenyl)-3 glutarique

Downstream raw materials:

(chloro-3 phenyl)-4 (chloro-3 propyl)-1 piperidine

C₂₂H₂₂ClN₃O₂

C₂₀H₂₂ClN₃

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