3-(4-Methoxybenzyl)piperidine

Base Information

• Chemical Name: 3-(4-Methoxybenzyl)piperidine
• CAS No.: 136422-65-6
• Molecular Formula: C13H19NO
• Molecular Weight: 205.3
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50396849
• Nikkaji Number: J1.956.038D
• ChEMBL ID: CHEMBL4077141
• Mol file: 136422-65-6.mol

Synonyms:3-(4-methoxybenzyl)piperidine;136422-65-6;3-(4-Methoxy-benzyl)-piperidine;3-[(4-methoxyphenyl)methyl]piperidine;Piperidine, 3-[(4-methoxyphenyl)methyl]-;CHEMBL4077141;MFCD05863592;SCHEMBL3163390;3-(4-Methoxybenzyl)-piperidine;DTXSID50396849;MEMNAZVIXVXAJS-UHFFFAOYSA-N;AMY20217;BDBM50259903;AKOS009157508;AB22585;AS-31282;SY020823;CS-0445441;EN300-86152;A886691;AR-527/43467598

Chemical Property of 3-(4-Methoxybenzyl)piperidine

Chemical Property:

• Vapor Pressure: 0.000449mmHg at 25°C
• Boiling Point: 315°C at 760 mmHg
• PKA: 10.30±0.10(Predicted)
• Flash Point: 129.4°C
• PSA: 21.26000
• Density: 1.002g/cm³
• LogP: 2.56610
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.146664230
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Methoxybenzyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC2CCCNC2

Technology Process of 3-(4-Methoxybenzyl)piperidine

There total 3 articles about 3-(4-Methoxybenzyl)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:

(4-methoxyphenyl)(pyridine-3-yl)methanol (89667-06-1) → 3-(4-methoxyphenylmethyl)piperidine (136422-65-6)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; at 70 ℃; under 6000.48 Torr;

DOI:10.1016/j.tet.2003.08.023

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) → 3-(4-methoxyphenylmethyl)piperidine (136422-65-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / tetrahydrofuran / 10 h

2: H₂; acetic acid / Pd/C / 70 °C / 6000.48 Torr

With hydrogen; acetic acid; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1016/j.tet.2003.08.023

Reference yield:

4-methoxyphenyl magnesium bromide (13139-86-1) → 3-(4-methoxyphenylmethyl)piperidine (136422-65-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / tetrahydrofuran / 10 h

2: H₂; acetic acid / Pd/C / 70 °C / 6000.48 Torr

With hydrogen; acetic acid; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1016/j.tet.2003.08.023

upstream raw materials:

(4-methoxyphenyl)(pyridine-3-yl)methanol

3-pyridinecarboxaldehyde

4-methoxyphenyl magnesium bromide

Downstream raw materials:

(4-chlorophenyl)-carbamic acid (S)-2,2,2-trifluoro-1-[3-(4-methoxybenzyl)-piperidin-1-ylmethyl]-ethyl ester

(S)-1,1,1-trifluoro-3-[3-(4-methoxybenzyl)-piperidin-1-yl]-propan-2-ol

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