Piperidine, 1-(4-hydroxy-1-oxobutyl)-

Base Information

• Chemical Name: Piperidine, 1-(4-hydroxy-1-oxobutyl)-
• CAS No.: 86452-60-0
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.239
• DSSTox Substance ID: DTXSID40438843
• Nikkaji Number: J491.484H

Synonyms:Piperidine, 1-(4-hydroxy-1-oxobutyl)-;86452-60-0;4-hydroxy-1-piperidin-1-ylbutan-1-one;SCHEMBL3004492;DTXSID40438843;1-Piperidino-4-hydroxy-1-butanone;4-oxo-4-(1-piperidinyl)-1-butanol;AKOS015904965

Chemical Property of Piperidine, 1-(4-hydroxy-1-oxobutyl)-

Chemical Property:

• PSA: 40.54000
• LogP: 0.70930
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

4-hydroxy-1-(1-piperidinyl)-1-Butanone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)CCCO

Technology Process of Piperidine, 1-(4-hydroxy-1-oxobutyl)-

There total 3 articles about Piperidine, 1-(4-hydroxy-1-oxobutyl)- 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: 100.0%

piperidine (110-89-4) + 4-butanolide (96-48-0) → 4-hydroxy-1-(piperidin-1-yl)butan-1-one (86452-60-0)

Guidance literature:

With bis(trifluoromethane)sulfonimide lithium; In chloroform; at 85 ℃; for 40h;

DOI:10.1055/s-2007-1000882

Reference yield: 73.0%

butane-4'-carboxy-(1'-piperidinyl)-carboxamide (4672-17-7) → 4-hydroxy-1-(piperidin-1-yl)butan-1-one (86452-60-0)

Guidance literature:

butane-4'-carboxy-(1'-piperidinyl)-carboxamide; With trimethylphenylsilane; C₆₉H₅₅ClP₃Ru; In tetrahydrofuran; at 60 ℃; for 16h; Glovebox;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 1h; chemoselective reaction; Glovebox;

DOI:10.1002/adsc.201301088

Reference yield:

C12H25NO2Sn (86452-70-2) → 4-hydroxy-1-(piperidin-1-yl)butan-1-one (86452-60-0)

Guidance literature:

With malonic acid; In diethyl ether; for 2h; Yield given; Heating;

DOI:10.1055/s-1983-30322

upstream raw materials:

piperidine

4-butanolide

C₁₂H₂₅NO₂Sn

butane-4'-carboxy-(1'-piperidinyl)-carboxamide

Downstream raw materials:

5-Benzenesulfonyl-4-hydroxy-1-piperidin-1-yl-decan-1-one

Acetic acid 2-benzenesulfonyl-4-methyl-1-(3-oxo-3-piperidin-1-yl-propyl)-pent-3-enyl ester

Acetic acid 2-benzenesulfonyl-1-(3-oxo-3-piperidin-1-yl-propyl)-heptyl ester

Acetic acid 1-(1-benzenesulfonyl-2-[1,3]dioxolan-2-yl-ethyl)-4-oxo-4-piperidin-1-yl-butyl ester

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