alpha-((4-Nitrophenoxy)methyl)-4-phenyl-1-piperidineethanol

Base Information

• Chemical Name: alpha-((4-Nitrophenoxy)methyl)-4-phenyl-1-piperidineethanol
• CAS No.: 64511-67-7
• Molecular Formula: C20H24 N2 O4
• Molecular Weight: 356.422
• DSSTox Substance ID: DTXSID30983115
• Mol file: 64511-67-7.mol

Synonyms:BRN 1691597;alpha-((4-Nitrophenoxy)methyl)-4-phenyl-1-piperidineethanol;1-Piperidineethanol, alpha-((4-nitrophenoxy)methyl)-4-phenyl-;5-20-06-00413 (Beilstein Handbook Reference);64511-67-7;DTXSID30983115;1-(4-nitrophenoxy)-3-(4-phenylpiperidin-1-yl)propan-2-ol;LS-115474

Chemical Property of alpha-((4-Nitrophenoxy)methyl)-4-phenyl-1-piperidineethanol

Chemical Property:

• Vapor Pressure: 8.19E-13mmHg at 25°C
• Boiling Point: 547.3°C at 760 mmHg
• Flash Point: 284.8°C
• Density: 1.212g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 356.17360725
• Heavy Atom Count: 26
• Complexity: 420

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C2=CC=CC=C2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Technology Process of alpha-((4-Nitrophenoxy)methyl)-4-phenyl-1-piperidineethanol

There total 3 articles about alpha-((4-Nitrophenoxy)methyl)-4-phenyl-1-piperidineethanol 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: 83.0%

4-phenylpiperidine (771-99-3) + 4-nitrophenyl 2-oxiranylmethyl ether (125228-75-3) → 1-(4-nitrophenoxy)-3-(N-4-phenylpiperidine)-2-propanol (64511-67-7)

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1021/jm00109a007

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 1-(4-nitrophenoxy)-3-(N-4-phenylpiperidine)-2-propanol (64511-67-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1 N NaOH / 10 h

2: 83 percent / ethanol / 4 h / Heating

With sodium hydroxide; In ethanol;

DOI:10.1021/jm00109a007

Reference yield:

→ 1-(4-nitrophenoxy)-3-(N-4-phenylpiperidine)-2-propanol (64511-67-7)

Guidance literature:

p-Nitrophenoxy-2,3-epoxypropan und 4-Phenylpyridin;

upstream raw materials:

4-phenylpiperidine

4-nitrophenyl 2-oxiranylmethyl ether

4-nitro-phenol

Downstream raw materials:

1-(4-aminophenoxy)-3-(N-4-phenylpiperidine)-2-propanol

1-(4-methanesulfonamidophenoxy)-3-(N-4-phenylpiperidine)-2-propanol