2-Piperidinone, 1-(3-(4-(p-chloro-alpha-hydroxy-alpha-phenylbenzyl)piperidino)phenyl)-6-phenyl-, ethanedioate, hydrate

Base Information

• Chemical Name: 2-Piperidinone, 1-(3-(4-(p-chloro-alpha-hydroxy-alpha-phenylbenzyl)piperidino)phenyl)-6-phenyl-, ethanedioate, hydrate
• CAS No.: 109758-39-6
• Molecular Formula: C34H39ClN2O6
• Molecular Weight: 607.1363
• DSSTox Substance ID: DTXSID10911335
• Mol file: 109758-39-6.mol

Synonyms:M.G. 16260;109758-39-6;2-Piperidinone, 1-(3-(4-(p-chloro-alpha-hydroxy-alpha-phenylbenzyl)piperidino)phenyl)-6-phenyl-, ethanedioate, hydrate;DTXSID10911335;C32H37ClN2O2.C2H2O4.H2O;LS-117227;C32-H37-Cl-N2-O2.C2-H2-O4.H2-O;Oxalic acid--1-(3-{4-[(4-chlorophenyl)(hydroxy)phenylmethyl]piperidin-1-yl}propyl)-6-phenylpiperidin-2-one (1/1)

Chemical Property of 2-Piperidinone, 1-(3-(4-(p-chloro-alpha-hydroxy-alpha-phenylbenzyl)piperidino)phenyl)-6-phenyl-, ethanedioate, hydrate

Chemical Property:

• Vapor Pressure: 1.76E-20mmHg at 25°C
• Boiling Point: 698.5°C at 760 mmHg
• Flash Point: 376.3°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 606.2496647
• Heavy Atom Count: 43
• Complexity: 777

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C(=O)C1)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5.C(=O)(C(=O)O)O

Technology Process of 2-Piperidinone, 1-(3-(4-(p-chloro-alpha-hydroxy-alpha-phenylbenzyl)piperidino)phenyl)-6-phenyl-, ethanedioate, hydrate

There total 2 articles about 2-Piperidinone, 1-(3-(4-(p-chloro-alpha-hydroxy-alpha-phenylbenzyl)piperidino)phenyl)-6-phenyl-, ethanedioate, hydrate 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:

6-phenylpiperidin-2-one (41419-25-4) → 1-(3-{4-[(4-Chloro-phenyl)-hydroxy-phenyl-methyl]-piperidin-1-yl}-propyl)-6-phenyl-piperidin-2-one; compound with oxalic acid (109758-39-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 26 percent / 80percent NaH / dimethylformamide / 3 h / Ambient temperature

2: 1.) KI, 2.) K₂CO₃ / 1.) isobutylmethylketone, reflux, 30 min, 2.) isobutylmethylketone, 48 h

With sodium hydride; potassium carbonate; potassium iodide; In N,N-dimethyl-formamide;

Reference yield:

4-<(4-chlorophenyl)phenylhydroxymethyl>piperidine (3811-54-9,149050-85-1,149050-86-2) + oxalic acid (144-62-7,97993-78-7) + 1-(3-ciclopropil)-6-fenil-piperidin-2-one (109758-07-8) → 1-(3-{4-[(4-Chloro-phenyl)-hydroxy-phenyl-methyl]-piperidin-1-yl}-propyl)-6-phenyl-piperidin-2-one; compound with oxalic acid (109758-39-6)

Guidance literature:

With potassium carbonate; potassium iodide; Yield given. Multistep reaction; 1.) isobutylmethylketone, reflux, 30 min, 2.) isobutylmethylketone, 48 h;

upstream raw materials:

4-<(4-chlorophenyl)phenylhydroxymethyl>piperidine

oxalic acid

1-(3-ciclopropil)-6-fenil-piperidin-2-one

6-phenylpiperidin-2-one