4-Chloropiperidine

Base Information

• Chemical Name: 4-Chloropiperidine
• CAS No.: 5382-18-3
• Molecular Formula: C5H10ClN
• Molecular Weight: 119.594
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70329538
• Nikkaji Number: J1.142.049D
• Wikidata: Q72457783
• Mol file: 5382-18-3.mol

Synonyms:4-chloropiperidine;5382-18-3;4-Chloro-piperidine;Piperidine, 4-chloro-;SCHEMBL25370;DTXSID70329538;MFCD09997828;AKOS006348459;SB37567;AM100920;BS-28609;C2182;CS-0453479;FT-0688702;F14708;EN300-1721923

Chemical Property of 4-Chloropiperidine

Chemical Property:

• Vapor Pressure: 1.24mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 173.8 °C at 760 mmHg
• PKA: 9.47±0.10(Predicted)
• Flash Point: 58.9 °C
• PSA: 12.03000
• Density: 1.06 g/cm³
• LogP: 1.30600
• Storage Temp.: 0-10°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 119.0501770
• Heavy Atom Count: 7
• Complexity: 50

Purity/Quality:

98% ^*data from raw suppliers

4-Chloropiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1Cl

Technology Process of 4-Chloropiperidine

There total 4 articles about 4-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:

4-chloro-1-methylpiperidine (5570-77-4) → 4-chloro piperidine (5382-18-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 1-chloroethyl chloroformate / 1,2-dichloro-ethane / 3 h / 80 °C

1.2: NaBr / methanol / 18 h / 20 °C

2.1: 89 percent / acetonitrile / 18 h / 73 °C

3.1: tetrahydrofuran / 8 h / -15 - 20 °C

With carbonochloridic acid 1-chloro-ethyl ester; In tetrahydrofuran; 1,2-dichloro-ethane; acetonitrile;

DOI:10.1021/jo048047g

Reference yield:

4-chloro-1-isopropylidene-piperidinium; bromide + methylmagnesium chloride (676-58-4) → 4-chloro piperidine (5382-18-3) + 1-tert-butyl-4-chloropiperidine (5570-81-0)

Guidance literature:

In tetrahydrofuran; at -15 - 20 ℃; for 8h;

DOI:10.1021/jo048047g

Reference yield:

4-chloropiperidine hydrobromide → 4-chloro piperidine (5382-18-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / acetonitrile / 18 h / 73 °C

2: tetrahydrofuran / 8 h / -15 - 20 °C

In tetrahydrofuran; acetonitrile;

DOI:10.1021/jo048047g

upstream raw materials:

methylmagnesium chloride

4-chloro-1-methylpiperidine

Downstream raw materials:

1-Aethyl-4-chlor-piperidin

4-chloro-1-nitrosopiperidine

Refernces

• 1、 -. "Tricyclic compounds". . . Retrieved 2008/06/13.