3-(4-Pyridinylmethyl)phenol

Base Information

• Chemical Name: 3-(4-Pyridinylmethyl)phenol
• CAS No.: 782504-71-6
• Molecular Formula: C12H11NO
• Molecular Weight: 185.225
• DSSTox Substance ID: DTXSID601309916
• Mol file: 782504-71-6.mol

Synonyms:3-(4-Pyridinylmethyl)phenol;DTXSID601309916;AKOS020805248;782504-71-6

Chemical Property of 3-(4-Pyridinylmethyl)phenol

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.084063974
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)CC2=CC=NC=C2

Technology Process of 3-(4-Pyridinylmethyl)phenol

There total 3 articles about 3-(4-Pyridinylmethyl)phenol 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: 78.0%

[3-(benzyloxy)phenyl](pyridin-4-yl)methanol (782504-51-2) → 4-[(3-hydroxyphenyl)methyl]pyridine (782504-71-6)

Guidance literature:

With sulfuric acid; hydrogen; palladium on activated charcoal; In ethanol; at 30 ℃;

DOI:10.1002/ejoc.200400215

Reference yield:

pyridine-4-carbaldehyde (872-85-5) → 4-[(3-hydroxyphenyl)methyl]pyridine (782504-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 10 h / 20 °C

2: 78 percent / H₂; H₂SO₄ / Pd/C / ethanol / 30 °C

With sulfuric acid; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1002/ejoc.200400215

Reference yield:

<3-(benzyloxy)phenyl>magnesium bromide (36281-96-6) → 4-[(3-hydroxyphenyl)methyl]pyridine (782504-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 10 h / 20 °C

2: 78 percent / H₂; H₂SO₄ / Pd/C / ethanol / 30 °C

With sulfuric acid; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1002/ejoc.200400215

upstream raw materials:

[3-(benzyloxy)phenyl](pyridin-4-yl)methanol

pyridine-4-carbaldehyde

<3-(benzyloxy)phenyl>magnesium bromide

Downstream raw materials:

methanesulfonic acid 3-piperidin-4-ylmethyl-phenyl ester

4-{[3-(mesyloxy)phenyl]methyl}pyridine