4-(3,4-Dichlorobenzyl)piperidine

Base Information

• Chemical Name: 4-(3,4-Dichlorobenzyl)piperidine
• CAS No.: 220772-32-7
• Molecular Formula: C12H15Cl2N
• Molecular Weight: 244.164
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID601273604
• Mol file: 220772-32-7.mol

Synonyms:4-(3,4-dichlorobenzyl)piperidine;220772-32-7;4-[(3,4-dichlorophenyl)methyl]piperidine;Piperidine, 4-[(3,4-dichlorophenyl)methyl]-;4-(3,4-Dichlorobenzyl)-piperidine;SCHEMBL1691782;JROWTKYJKHIRGD-UHFFFAOYSA-N;DTXSID601273604;MFCD09260423;AKOS022197555;EN300-1964443

Chemical Property of 4-(3,4-Dichlorobenzyl)piperidine

Chemical Property:

• Vapor Pressure: 8.22E-05mmHg at 25°C
• Boiling Point: 341.1oC at 760 mmHg
• PKA: 10.49±0.10(Predicted)
• Flash Point: 160.1oC
• PSA: 12.03000
• Density: 1.192g/cm3
• LogP: 4.66630
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 243.0581549
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

98%min ^*data from raw suppliers

4-(3,4-Dichlorobenzyl)piperidine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1CC2=CC(=C(C=C2)Cl)Cl

Technology Process of 4-(3,4-Dichlorobenzyl)piperidine

There total 3 articles about 4-(3,4-Dichlorobenzyl)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: 100.0%

1-(tert-butoxycarbonyl)-4-(3,4-dichlorobenzyl)piperidine (220772-31-6) → 4-(3,4-dichlorobenzyl)piperidine (220772-32-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane;

DOI:10.1016/j.bmcl.2005.01.016

Reference yield:

4-bromo-1,2-dichlorobenzene (18282-59-2) → 4-(3,4-dichlorobenzyl)piperidine (220772-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 9-BBN / tetrahydrofuran

1.2: Pd(dppf)Cl₂; K₂CO₃ / tetrahydrofuran; dimethylformamide / Heating

2.1: 100 percent / HCl / dioxane; CH₂Cl₂

With hydrogenchloride; 9-borabicyclo[3.3.1]nonane dimer; In tetrahydrofuran; 1,4-dioxane; dichloromethane; 1.2: Suzuki coupling;

DOI:10.1016/j.bmcl.2005.01.016

Reference yield:

tert-butyl 4-methylidenepiperidine-1-carboxylate (159635-49-1) → 4-(3,4-dichlorobenzyl)piperidine (220772-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 9-BBN / tetrahydrofuran

1.2: Pd(dppf)Cl₂; K₂CO₃ / tetrahydrofuran; dimethylformamide / Heating

2.1: 100 percent / HCl / dioxane; CH₂Cl₂

With hydrogenchloride; 9-borabicyclo[3.3.1]nonane dimer; In tetrahydrofuran; 1,4-dioxane; dichloromethane; 1.2: Suzuki coupling;

DOI:10.1016/j.bmcl.2005.01.016

upstream raw materials:

1-(tert-butoxycarbonyl)-4-(3,4-dichlorobenzyl)piperidine

4-bromo-1,2-dichlorobenzene

tert-butyl 4-methylidenepiperidine-1-carboxylate