1-[(S)-1-Phenylethyl]piperidine-4-one

Base Information

• Chemical Name: 1-[(S)-1-Phenylethyl]piperidine-4-one
• CAS No.: 36482-37-8
• Molecular Formula: C13H17 N O
• Molecular Weight: 203.284
• ChEMBL ID: CHEMBL4901167
• DSSTox Substance ID: DTXSID50463702
• Nikkaji Number: J1.764.811J
• Wikidata: Q82288705
• Mol file: 36482-37-8.mol

Synonyms:36482-37-8;1-[(S)-1-Phenylethyl]piperidine-4-one;4-Piperidinone,1-[(1S)-1-phenylethyl]-;(S)-1-(1-Phenylethyl)piperidin-4-one;1-[(1S)-1-PHENYLETHYL]PIPERIDIN-4-ONE;CTK4H6538;1-((S)-1-Phenyl-ethyl)-piperidin-4-one;CHEMBL4901167;SCHEMBL19613500;AMY6053;DTXSID50463702;N-[(s)-alpha-methylbenzyl]-4-piperidone;CS-0069668;A1-31954

Chemical Property of 1-[(S)-1-Phenylethyl]piperidine-4-one

Chemical Property:

• Vapor Pressure: 0.000591mmHg at 25°C
• 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:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CCC(=O)CC2
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)N2CCC(=O)CC2

Technology Process of 1-[(S)-1-Phenylethyl]piperidine-4-one

There total 7 articles about 1-[(S)-1-Phenylethyl]piperidine-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: 78.0%

→ N-<(S)-α-methylbenzyl>-4-piperidone (36482-37-8)

Guidance literature:

With potassium carbonate; In ethanol; water; for 1.5h; Reflux;

Reference yield: 75.0%

(S)-1-phenyl-ethylamine (2627-86-3) + N,N-dimethyl-4-oxopiperidinium iodide (26822-37-7) → N-<(S)-α-methylbenzyl>-4-piperidone (36482-37-8)

Guidance literature:

With potassium carbonate; In ethanol; water; for 0.5h; Heating;

DOI:10.1021/jo00002a008

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:

(S)-1-phenyl-ethylamine

N,N-dimethyl-4-oxopiperidinium iodide

1-Methyl-4-piperidone

rac-methylbenzylamine

Downstream raw materials:

1-(S-α-phenylethyl)-3-(2-cyanoethyl)piperidin-4-one

1-(S-α-phenylethyl)-3-(2-carbomethoxyethyl)-4-piperidone

(S)-8-chloro-11-1-(1-(1-phenylethyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2b]pyridine

(11S)-(-)-8-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane

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