1-Benzyl-3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol

Base Information

• Chemical Name: 1-Benzyl-3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol
• CAS No.: 104778-55-4
• Molecular Formula: C21H27NO3
• Molecular Weight: 341.45
• DSSTox Substance ID: DTXSID70547598
• Mol file: 104778-55-4.mol

Synonyms:104778-55-4;1-Benzyl-3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol;DTXSID70547598

Chemical Property of 1-Benzyl-3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 341.19909372
• Heavy Atom Count: 25
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1OCC2(CCCN(C2)CC3=CC=CC=C3)O

Technology Process of 1-Benzyl-3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol

There total 2 articles about 1-Benzyl-3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol 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: 68.0%

2-Ethoxyphenol (94-71-3) + 5-benzyl-1-oxa-5-aza-spiro[2.5]octane (97267-35-1) → 1-benzyl-3-<(2-ethoxyphenoxy)methyl>-3-piperidinol (104778-55-4)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 110 ℃; for 6h;

DOI:10.1021/jm00384a040

Reference yield:

1-benzyl-3-piperidone (40114-49-6) → 1-benzyl-3-<(2-ethoxyphenoxy)methyl>-3-piperidinol (104778-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / dimethylsulfoxide / a) RT, 6 h, b) 50 deg C, 40 min

2: 68 percent / NaOH / dioxane / 6 h / 110 °C

With sodium hydroxide; In 1,4-dioxane; dimethyl sulfoxide;

DOI:10.1021/jm00384a040

Reference yield: 92.0%

1-benzyl-3-<(2-ethoxyphenoxy)methyl>-3-piperidinol (104778-55-4) → 3-<(2-ethoxyphenoxy)methyl>-3-piperidinol (104778-52-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr;

DOI:10.1021/jm00384a040

upstream raw materials:

2-Ethoxyphenol

5-benzyl-1-oxa-5-aza-spiro[2.5]octane

1-benzyl-3-piperidone

Downstream raw materials:

3-<(2-ethoxyphenoxy)methyl>-3-piperidinol

1-acetyl-3-<(2-ethoxyphenoxy)methyl>-3-piperidinol