4-Piperidinone, 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-

Base Information

• Chemical Name: 4-Piperidinone, 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-
• CAS No.: 56660-98-1
• Molecular Formula: C17H22FNO3
• Molecular Weight: 307.365
• DSSTox Substance ID: DTXSID70444856
• Nikkaji Number: J86.546J
• Wikidata: Q82263130

Synonyms:56660-98-1;4-Piperidinone, 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-;DTXSID70444856;1-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-piperidone;1-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)piperidin-4-one

Chemical Property of 4-Piperidinone, 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 307.15837173
• Heavy Atom Count: 22
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1=O)CCCC2(OCCO2)C3=CC=C(C=C3)F

Technology Process of 4-Piperidinone, 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-

There total 4 articles about 4-Piperidinone, 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]- 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: 75.4%

piperidine-4,4-diol hydrochloride (40064-34-4) + 4-chloro-1-(4-fluorophenyl)-1,1-(ethylenedioxy)butane (3308-94-9) → 1-<4-(4-fluorophenyl)-4,4-(ethylenedioxy)butyl>-4-piperidinone (56660-98-1)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; 1.) room temp., overnight, 2.) reflux, 1 h;

DOI:10.1055/s-1993-25946

Reference yield: 50.0%

1-<4-(4-fluorophenyl)-4,4-(ethylenedioxy)butyl>-4-hydroxypiperidine (19668-18-9) → 1-<4-(4-fluorophenyl)-4,4-(ethylenedioxy)butyl>-4-piperidinone (56660-98-1)

Guidance literature:

With 9-fluorene; potassium tert-butylate; In benzene; for 2.5h; Ambient temperature;

DOI:10.1021/jm00175a014

Reference yield: 45.0%

4-piperidone hydrochloride (41979-39-9) + 4-chloro-1-(4-fluorophenyl)-1,1-(ethylenedioxy)butane (3308-94-9) → 1-<4-(4-fluorophenyl)-4,4-(ethylenedioxy)butyl>-4-piperidinone (56660-98-1)

Guidance literature:

With sodium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 ℃; for 24h;

DOI:10.1021/jm980452a

upstream raw materials:

piperidine-4,4-diol hydrochloride

4-chloro-1-(4-fluorophenyl)-1,1-(ethylenedioxy)butane

1-<4-(4-fluorophenyl)-4,4-(ethylenedioxy)butyl>-4-hydroxypiperidine

4-piperidone hydrochloride

Downstream raw materials:

4-amino-1-{3-[2-(4-fluoro-phenyl)-[1,3]dioxolan-2-yl]-propyl}-piperidine-4-carbonitrile

4-cyclohexylamino-1-{3-[2-(4-fluoro-phenyl)-[1,3]dioxolan-2-yl]-propyl}-piperidine-4-carbonitrile

1-{3-[2-(4-fluoro-phenyl)-[1,3]dioxolan-2-yl]-propyl}-4-methylamino-piperidine-4-carbonitrile

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