N-(4-(2-Hydroxy-3-(4-phenyl-1-piperidinyl)propoxy)phenyl)methanesulfonamide

Base Information

• Chemical Name: N-(4-(2-Hydroxy-3-(4-phenyl-1-piperidinyl)propoxy)phenyl)methanesulfonamide
• CAS No.: 64511-70-2
• Molecular Formula: C21H28 N2 O4 S
• Molecular Weight: 404.523
• DSSTox Substance ID: DTXSID10983118
• Nikkaji Number: J409.725D
• ChEMBL ID: CHEMBL289442
• Mol file: 64511-70-2.mol

Synonyms:64511-70-2;BRN 1691472;N-(4-(2-Hydroxy-3-(4-phenyl-1-piperidinyl)propoxy)phenyl)methanesulfonamide;Methanesulfonamide, N-(4-(2-hydroxy-3-(4-phenyl-1-piperidinyl)propoxy)phenyl)-;N-{4-[2-Hydroxy-3-(4-phenyl-1-piperidinyl)propoxy]phenyl}methanesulfonamide;CHEMBL289442;C21H28N2O4S;DTXSID10983118;LS-90137;N-[4-[2-Hydroxy-3-(4-phenyl-1-piperidinyl)propyloxy]phenyl]methanesulfonamide;N-{4-[2-HYDROXY-3-(4-PHENYLPIPERIDIN-1-YL)PROPOXY]PHENYL}METHANESULFONAMIDE

Chemical Property of N-(4-(2-Hydroxy-3-(4-phenyl-1-piperidinyl)propoxy)phenyl)methanesulfonamide

Chemical Property:

• Vapor Pressure: 3.11E-15mmHg at 25°C
• Boiling Point: 599.8°Cat760mmHg
• Flash Point: 316.5°C
• Density: 1.254g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 404.17697855
• Heavy Atom Count: 28
• Complexity: 543

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)OCC(CN2CCC(CC2)C3=CC=CC=C3)O

Technology Process of N-(4-(2-Hydroxy-3-(4-phenyl-1-piperidinyl)propoxy)phenyl)methanesulfonamide

There total 5 articles about N-(4-(2-Hydroxy-3-(4-phenyl-1-piperidinyl)propoxy)phenyl)methanesulfonamide 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: 35.0%

1-(4-aminophenoxy)-3-(N-4-phenylpiperidine)-2-propanol (64511-68-8) + methanesulfonyl chloride (124-63-0) → 1-(4-methanesulfonamidophenoxy)-3-(N-4-phenylpiperidine)-2-propanol (64511-70-2)

Guidance literature:

In N,N-dimethyl-formamide; at 0 - 25 ℃; for 2h;

DOI:10.1021/jm00109a007

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 1-(4-methanesulfonamidophenoxy)-3-(N-4-phenylpiperidine)-2-propanol (64511-70-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 1 N NaOH / 10 h

2: 83 percent / ethanol / 4 h / Heating

3: 96 percent / H₂ / 10percent Pd/C / ethanol / 1 h / 760 Torr

4: 35 percent / dimethylformamide / 2 h / 0 - 25 °C

With sodium hydroxide; hydrogen; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00109a007

Reference yield:

1-(4-nitrophenoxy)-3-(N-4-phenylpiperidine)-2-propanol (64511-67-7) → 1-(4-methanesulfonamidophenoxy)-3-(N-4-phenylpiperidine)-2-propanol (64511-70-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / H₂ / 10percent Pd/C / ethanol / 1 h / 760 Torr

2: 35 percent / dimethylformamide / 2 h / 0 - 25 °C

With hydrogen; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00109a007

upstream raw materials:

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

methanesulfonyl chloride

4-nitro-phenol

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