1-(2-Chloropropyl)piperidine

Base Information

• Chemical Name: 1-(2-Chloropropyl)piperidine
• CAS No.: 698-92-0
• Molecular Formula: C8H16ClN
• Molecular Weight: 161.675
• European Community (EC) Number: 211-823-1
• DSSTox Substance ID: DTXSID00990058
• Nikkaji Number: J193.055I
• Mol file: 698-92-0.mol

Synonyms:1-(2-Chloropropyl)piperidine;698-92-0;C8H16ClN;EINECS 211-823-1;Piperidine, 1-(2-chloropropyl)-;N-(2-Chloropropyl)piperidine;SCHEMBL7260782;DTXSID00990058;MFCD19105113;AKOS016007048;SB42946;AS-49947;CS-0154041;O10264

Chemical Property of 1-(2-Chloropropyl)piperidine

Chemical Property:

• Vapor Pressure: 0.259mmHg at 25°C
• Melting Point: 388-389℃
• Refractive Index: 1.467
• Boiling Point: 204.762 °C at 760 mmHg
• PKA: 8.13±0.10(Predicted)
• Flash Point: 77.638 °C
• PSA: 3.24000
• Density: 0.99 g/cm³
• LogP: 2.03750
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 161.0971272
• Heavy Atom Count: 10
• Complexity: 89.3

Purity/Quality:

99%, ^*data from raw suppliers

1-(2-Chloropropyl)piperidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1CCCCC1)Cl

Technology Process of 1-(2-Chloropropyl)piperidine

There total 3 articles about 1-(2-Chloropropyl)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:

1-(piperidin-1-yl)propan-2-ol (934-90-7) → 1-(2-chloro-propyl)-piperidine (698-92-0)

Guidance literature:

With thionyl chloride; chloroform;

DOI:10.1021/ja01254a053

Reference yield:

N-acetylmethyl piperidine (6784-61-8) → 1-(2-chloro-propyl)-piperidine (698-92-0)

Guidance literature:

Multi-step reaction with 2 steps

1: nickel catalyst; ethanol / 80 - 100 °C / Hydrogenation

2: benzene; thionyl chloride

With thionyl chloride; ethanol; nickel; benzene;

Reference yield:

→ 1-(2-chloro-propyl)-piperidine (698-92-0)

Guidance literature:

(+-)-1-<2-Hydroxy-propyl>-piperidin in Chlf. oder Bzl., Phosphor(V)-chlorid ;

upstream raw materials:

1-(piperidin-1-yl)propan-2-ol

N-acetylmethyl piperidine

Downstream raw materials:

2,2-diphenyl-4-piperidino-valeronitrile

3-methyl-2,2-diphenyl-4-piperidino-butyronitrile

1-(2-bibenzyl-4-yloxy-propyl)-piperidine

bibenzyl-4-yloxy-acetic acid-(β-piperidino-isopropyl ester); hydrochloride