3-Piperidin-4-ylmethyl-phenol hydrochloride

Base Information

• Chemical Name: 3-Piperidin-4-ylmethyl-phenol hydrochloride
• CAS No.: 782504-72-7
• Molecular Formula: C₁₂H₁₇NO*ClH
• Molecular Weight: 227.734
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID10588783
• Mol file: 782504-72-7.mol

Synonyms:3-Piperidin-4-ylmethyl-phenol hydrochloride;782504-72-7;3-(Piperidin-4-ylmethyl)phenol hydrochloride;3-(piperidin-4-ylmethyl)phenol;hydrochloride;DTXSID10588783;MFCD08437510;AB45047;CS-0365772;3-[(piperidin-4-yl)methyl]phenol hydrochloride;3-[(Piperidin-4-yl)methyl]phenol--hydrogen chloride (1/1)

Chemical Property of 3-Piperidin-4-ylmethyl-phenol hydrochloride

Chemical Property:

• Vapor Pressure: 3.27E-05mmHg at 25°C
• Boiling Point: 344.6oC at 760 mmHg
• Flash Point: 141.1oC
• PSA: 32.26000
• LogP: 3.06510
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.1076919
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

3-Piperidin-4-ylmethyl-phenolHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1CC2=CC(=CC=C2)O.Cl

Technology Process of 3-Piperidin-4-ylmethyl-phenol hydrochloride

There total 3 articles about 3-Piperidin-4-ylmethyl-phenol hydrochloride 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: 61.6%

[3-(benzyloxy)phenyl](pyridin-4-yl)methanol (782504-51-2) → 4-[(3-hydroxyphenyl)methyl]piperidine hydrochloride (782504-72-7)

Guidance literature:

With sulfuric acid; hydrogen; palladium on activated charcoal; In ethanol; at 20 - 65 ℃;

DOI:10.1002/ejoc.200400215

Reference yield:

pyridine-4-carbaldehyde (872-85-5) → 4-[(3-hydroxyphenyl)methyl]piperidine hydrochloride (782504-72-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 10 h / 20 °C

2: 61.6 percent / H₂; H₂SO₄ / Pd/C / ethanol / 20 - 65 °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]piperidine hydrochloride (782504-72-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 10 h / 20 °C

2: 61.6 percent / H₂; H₂SO₄ / Pd/C / ethanol / 20 - 65 °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