1-(2-(4-Methoxyphenyl)ethyl)-4-piperidone

Base Information

• Chemical Name: 1-(2-(4-Methoxyphenyl)ethyl)-4-piperidone
• CAS No.: 39742-63-7
• Molecular Formula: C14H19 N O2
• Molecular Weight: 233.31
• European Community (EC) Number: 254-614-0
• UNII: 422VFA4LP6
• DSSTox Substance ID: DTXSID90192827
• Nikkaji Number: J261.439A
• Wikidata: Q83065488
• Mol file: 39742-63-7.mol

Synonyms:39742-63-7;1-(2-(4-Methoxyphenyl)ethyl)-4-piperidone;1-[2-(4-methoxyphenyl)ethyl]piperidin-4-one;EINECS 254-614-0;1-[2-(4-Methoxyphenyl)ethyl]-4-piperidinone;422VFA4LP6;SCHEMBL3714297;DTXSID90192827;BAPDJTACENRPEN-UHFFFAOYSA-N;AKOS000183670;NS00030660;EN300-53803;4-Piperidinone, 1-[2-(4-methoxyphenyl)ethyl]-

Chemical Property of 1-(2-(4-Methoxyphenyl)ethyl)-4-piperidone

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Boiling Point: 371.6°Cat760mmHg
• Flash Point: 178.5°C
• PSA: 29.54000
• Density: 1.078g/cm³
• LogP: 1.84050
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

1-[2-(4-METHOXYPHENYL)ETHYL]PIPERIDIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCN2CCC(=O)CC2

Technology Process of 1-(2-(4-Methoxyphenyl)ethyl)-4-piperidone

There total 3 articles about 1-(2-(4-Methoxyphenyl)ethyl)-4-piperidone 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:

4,4-ethylenedioxy-piperidine (177-11-7) → 1-[2-(4-methoxyphenyl)ethyl]-4-piperidone (39742-63-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate, potassium iodide / various solvent(s) / 18 h / Heating

2: 2 N HCl / Heating

With hydrogenchloride; sodium carbonate; potassium iodide; In various solvent(s);

DOI:10.1021/jm00150a029

Reference yield:

8-[2-(4-Methoxy-phenyl)-ethyl]-1,4-dioxa-8-aza-spiro[4.5]decane (39742-51-3) → 1-[2-(4-methoxyphenyl)ethyl]-4-piperidone (39742-63-7)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jm00150a029

Reference yield:

→ 1-[2-(4-methoxyphenyl)ethyl]-4-piperidone (39742-63-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 2h; Reflux;

With hydrogenchloride; In water; for 1.5h; Reflux;

upstream raw materials:

8-[2-(4-Methoxy-phenyl)-ethyl]-1,4-dioxa-8-aza-spiro[4.5]decane

4,4-ethylenedioxy-piperidine

Downstream raw materials:

4-amino-1-(2-(4-methoxyphenyl)ethyl)piperidine

(1-benzyl-1H-benzimidazol-2-yl)-(1-(2-(4-methoxyphenyl)ethyl)-piperidin-4-yl)amine

1-(2-aminophenyl)-3-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)thiourea

(1H-benzimidazol-2-yl)-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)amine

Refernces

• 1、 Janssens,Torremans,Janssen,Stokbroekx,Luyckx. "New antihistaminic N-heterocyclic 4-piperidinamines. 1. Synthesis and antihistaminic activity of N-(4-piperidinyl)-1H-benzimidazol-2-amines". . p. 1925 - 1933. Retrieved 2007/10/02.