1-Benzyl-3-(chloromethyl)piperidine

Base Information

• Chemical Name: 1-Benzyl-3-(chloromethyl)piperidine
• CAS No.: 104778-58-7
• Molecular Formula: C13H18ClN
• Molecular Weight: 260.20300
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30547599
• Mol file: 104778-58-7.mol

Synonyms:1-benzyl-3-(chloromethyl)piperidine;104778-58-7;1-Benzyl-3-chloromethyl-piperidine;1-benzyl-3-(chloromethyl)piperidine(SALTDATA: HCl);SCHEMBL11194018;DTXSID30547599;1-Benzyl-3-chloromethylpiperidine;AKOS005173736;AM90532;D88168;EN300-1870319

Chemical Property of 1-Benzyl-3-(chloromethyl)piperidine

Chemical Property:

• Vapor Pressure: 0.000751mmHg at 25°C
• Boiling Point: 306.9oC at 760 mmHg
• Flash Point: 139.4oC
• PSA: 3.24000
• Density: 1.074g/cm3
• LogP: 3.87730
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 223.1127773
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-3-(chloromethyl)piperidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CN(C1)CC2=CC=CC=C2)CCl

Technology Process of 1-Benzyl-3-(chloromethyl)piperidine

There total 3 articles about 1-Benzyl-3-(chloromethyl)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:

3-pyridinecarboxylic acid ethyl ester (614-18-6) → 1-benzyl-3-(chloromethyl)piperidine (104778-58-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) Na 2.) H₂ / 2.) 10percent Pd/C / 1.) EtOH, 2.) EtOH, RT, atm. pressure, 6 h

2: 3.2 g / K₂CO₃ / acetone / 24 h / Ambient temperature

3: 1.4 g / SOCl₂, HCl / CHCl₃ / 1.5 h / Heating

With hydrogenchloride; thionyl chloride; hydrogen; sodium; potassium carbonate; palladium on activated charcoal; In chloroform; acetone;

DOI:10.1021/jm00384a040

Reference yield:

1-benzyl-3-(hydroxymethyl)piperidine (85387-44-6) → 1-benzyl-3-(chloromethyl)piperidine (104778-58-7)

Guidance literature:

With hydrogenchloride; thionyl chloride; In chloroform; for 1.5h; Heating;

DOI:10.1021/jm00384a040

Reference yield:

3-(hydroxymethy)piperidine (4606-65-9) → 1-benzyl-3-(chloromethyl)piperidine (104778-58-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 3.2 g / K₂CO₃ / acetone / 24 h / Ambient temperature

2: 1.4 g / SOCl₂, HCl / CHCl₃ / 1.5 h / Heating

With hydrogenchloride; thionyl chloride; potassium carbonate; In chloroform; acetone;

DOI:10.1021/jm00384a040

upstream raw materials:

1-benzyl-3-(hydroxymethyl)piperidine

3-(hydroxymethy)piperidine

3-pyridinecarboxylic acid ethyl ester

Downstream raw materials:

1-benzyl-3-<(2-ethoxyphenoxy)methyl>piperidine

3-<(2-ethoxyphenoxy)methyl>piperidine

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