1-(1-Phenylethyl)piperidin-4-one

Base Information

• Chemical Name: 1-(1-Phenylethyl)piperidin-4-one
• CAS No.: 91600-21-4
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• European Community (EC) Number: 969-091-0
• Nikkaji Number: J2.429.090E
• Mol file: 91600-21-4.mol

Synonyms:1-(1-phenylethyl)piperidin-4-one;91600-21-4;1-(1-PHENYL)ETHYL-4-PIPERIDONE;120343-66-0;1-((S)-1-Phenyl-ethyl)-piperidin-4-one;SCHEMBL1586528;CDVAHHCNEWIUMV-UHFFFAOYSA-N;1-(1-phenyl-ethyl)-piperidin-4-one;AKOS000189089;AKOS017281769;EN300-82749;A1-31952;F8889-8061;Z139295894

Chemical Property of 1-(1-Phenylethyl)piperidin-4-one

Chemical Property:

• PSA: 20.31000
• LogP: 2.35040
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-(1-PHENYLETHYL)PIPERIDIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CCC(=O)CC2

Technology Process of 1-(1-Phenylethyl)piperidin-4-one

There total 9 articles about 1-(1-Phenylethyl)piperidin-4-one 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: 73.0%

8-(1-phenyl-ethyl)-1,4-dioxa-8-aza-spiro-[4.5]decane (1235972-79-8) → (R)-1-(1-phenyl-ethyl)-piperidin-4-on (91600-21-4)

Guidance literature:

8-(1-phenyl-ethyl)-1,4-dioxa-8-aza-spiro-[4.5]decane; With hydrogenchloride; water; In tetrahydrofuran; Reflux;

With sodium hydroxide; In water;

Reference yield: 64.0%

N,N-dimethyl-4-oxopiperidinium iodide (26822-37-7) + rac-methylbenzylamine (618-36-0) → (R)-1-(1-phenyl-ethyl)-piperidin-4-on (91600-21-4)

Guidance literature:

rac-methylbenzylamine; With potassium carbonate; In ethanol; water; at 110 ℃;

N,N-dimethyl-4-oxopiperidinium iodide; In ethanol; water; Reflux;

DOI:10.1002/cbdv.201900097

Reference yield: 43.0%

N,N-dimethyl-4-oxopiperidinium iodide (26822-37-7) + rac-methylbenzylamine (618-36-0) → 1-α-phenylethyl-4-piperidone (36482-37-8,91600-21-4,120343-66-0)

Guidance literature:

In water;

DOI:10.1007/BF00842959

upstream raw materials:

piperidin-4-one

(1-bromoethyl)benzne

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

rac-methylbenzylamine

Downstream raw materials:

(1-Phenyl-ethyl)-[1-(1-phenyl-ethyl)-piperidin-4-ylidene]-amine

1-[1-(1-phenyl-ethyl)-piperidin-4-yl]-4-pyridin-4-yl-piperazine

1-[1-(1-phenyl-ethyl-)piperidin-4-yl]-4-o-tolyl-piperazine

2-[1'-(1-phenylethyl)-3H-spiro[[2]benzoxepine-1,4'-piperidin]-3-yloxy]ethanol