1-(3-Chlorophenyl)piperidine

Base Information

• Chemical Name: 1-(3-Chlorophenyl)piperidine
• CAS No.: 102563-84-8
• Molecular Formula: C11H14ClN
• Molecular Weight: 195.68900
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID30436919
• Nikkaji Number: J301.878D
• Wikidata: Q82252264
• Mol file: 102563-84-8.mol

Synonyms:1-(3-chlorophenyl)piperidine;102563-84-8;3-chlorophenyl piperidine;SCHEMBL11922752;DTXSID30436919;YJBPOWXASJSUON-UHFFFAOYSA-N;CEA56384;MFCD10699658;AKOS006280711;SB41458;BS-19225;CS-0444700;A896774

Chemical Property of 1-(3-Chlorophenyl)piperidine

Chemical Property:

• Boiling Point: 306.0±25.0 °C(Predicted)
• PKA: 5.68±0.20(Predicted)
• PSA: 3.24000
• Density: 1.126±0.06 g/cm3(Predicted)
• LogP: 3.39530
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• 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

1-(3-Chlorophenyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=CC(=CC=C2)Cl

Technology Process of 1-(3-Chlorophenyl)piperidine

There total 5 articles about 1-(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: 78.0%

piperidine (110-89-4) + 1,3-Dichlorobenzene (541-73-1) → 1,3-di-(1-piperidinyl)benzene (27594-19-0) + 1-(3-chlorophenyl)piperidine (102563-84-8)

Guidance literature:

With styrene; tert-Amyl alcohol; sodium hydride; [2,2]bipyridinyl; nickel diacetate; In tetrahydrofuran; for 1.5h; Heating;

DOI:10.1016/S0040-4039(00)00276-8

Reference yield: 60.0%

1,5-dibromo-pentane (111-24-0) + 3-chloro-aniline (108-42-9) → 1-(3-chlorophenyl)piperidine (102563-84-8)

Guidance literature:

With potassium carbonate; In ethanol; water; at 120 ℃; for 0.0833333h; under 3878.71 Torr;

DOI:10.1080/00397911.2011.561944

Reference yield: 35.0%

1 ,5-pentanediol (111-29-5) + 3-chloro-aniline (108-42-9) → 1-(3-chlorophenyl)piperidine (102563-84-8)

Guidance literature:

With iron(III) chloride hexahydrate; In tetrachloromethane; at 160 - 180 ℃; Autoclave; Inert atmosphere;

DOI:10.3998/ark.5550190.p008.743

upstream raw materials:

piperidine

1,3-Dichlorobenzene

1,5-dibromo-pentane

3-chloro-aniline

Downstream raw materials:

C₁₉H₁₉ClN₂O₂

C₁₉H₁₉ClN₂O₃

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