4-(2-Methyl-benzyl)-piperidine

Base Information

• Chemical Name: 4-(2-Methyl-benzyl)-piperidine
• CAS No.: 496056-24-7
• Molecular Formula: C13H19N
• Molecular Weight: 189.301
• DSSTox Substance ID: DTXSID20588779
• Nikkaji Number: J3.289.950A
• Wikidata: Q82481686
• Mol file: 496056-24-7.mol

Synonyms:4-(2-Methyl-benzyl)-piperidine;496056-24-7;4-[(2-Methylphenyl)methyl]piperidine;4-(2-methylbenzyl)piperidine;SCHEMBL3966077;DTXSID20588779;LNNIQIBRCVWSMD-UHFFFAOYSA-N;AKOS011515855;AB21587;CS-0281921;EN300-1275776

Chemical Property of 4-(2-Methyl-benzyl)-piperidine

Chemical Property:

• Vapor Pressure: 0.00108mmHg at 25°C
• Boiling Point: 301oC at 760 mmHg
• Flash Point: 139.2oC
• PSA: 12.03000
• Density: 0.96g/cm3
• LogP: 2.86590
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2-Methyl-benzyl)-piperidine >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC2CCNCC2

Technology Process of 4-(2-Methyl-benzyl)-piperidine

There total 3 articles about 4-(2-Methyl-benzyl)-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: 70.0%

α-(2-methylphenyl)-4-pyridinemethanol (112064-22-9) → 4-(2-methyl-benzyl)-piperidine (496056-24-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; at 20 - 60 ℃; under 7500.75 Torr;

DOI:10.1002/ejoc.200400215

Reference yield:

pyridine-4-carbaldehyde (872-85-5) → 4-(2-methyl-benzyl)-piperidine (496056-24-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / tetrahydrofuran / 10 h / 20 °C

2: 70 percent / H₂; HCl / Pd/C / ethanol / 20 - 60 °C / 7500.75 Torr

With hydrogenchloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1002/ejoc.200400215

Reference yield:

ortho-tolylmagnesium bromide (932-31-0) → 4-(2-methyl-benzyl)-piperidine (496056-24-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / tetrahydrofuran / 10 h / 20 °C

2: 70 percent / H₂; HCl / Pd/C / ethanol / 20 - 60 °C / 7500.75 Torr

With hydrogenchloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1002/ejoc.200400215

upstream raw materials:

α-(2-methylphenyl)-4-pyridinemethanol

pyridine-4-carbaldehyde

ortho-tolylmagnesium bromide

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