1-Pentanoylpiperidine

Base Information

• Chemical Name: 1-Pentanoylpiperidine
• CAS No.: 18494-52-5
• Molecular Formula: C10H19NO
• Molecular Weight: 169.264
• Hs Code.: 2933399090
• NSC Number: 194999
• UNII: HZJ4BY55N9
• DSSTox Substance ID: DTXSID30307756
• Nikkaji Number: J146.550C
• Wikidata: Q82055294
• Mol file: 18494-52-5.mol

Synonyms:1-Pentanoylpiperidine;1-piperidin-1-ylpentan-1-one;18494-52-5;Piperidine, 1-valeryl-;1-Piperidino-1-pentanone;1-Valerylpiperidine;Piperidine, 1-(1-oxopentyl)-;NSC-194999;NSC194999;HZJ4BY55N9;SCHEMBL150076;DTXSID30307756;AKOS003872228;1-(1-PIPERIDINYL)-1-PENTANONE;1-PENTANONE, 1-(1-PIPERIDINYL)-

Chemical Property of 1-Pentanoylpiperidine

Chemical Property:

• Vapor Pressure: 0.00335mmHg at 25°C
• Boiling Point: 282.5°Cat760mmHg
• Flash Point: 118°C
• PSA: 20.31000
• Density: 0.949g/cm³
• LogP: 2.12700
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 169.146664230
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)N1CCCCC1

Technology Process of 1-Pentanoylpiperidine

There total 9 articles about 1-Pentanoylpiperidine 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: 96.0%

piperidine (110-89-4) + n-pentyl n-pentanoate (2173-56-0) → 1-(piperidin-1-yl)pentan-1-one (18494-52-5)

Guidance literature:

With carbonylhydrido[6-(di-tert-butylphosphinomethylene)-2-(N,N-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(II); In toluene; benzene; at 135 ℃; for 19h; Inert atmosphere;

DOI:10.1021/ja109944n

Reference yield: 93.0%

piperidine (110-89-4) + butylboronic acid (4426-47-5) + carbon monoxide (201230-82-2) → 1-(piperidin-1-yl)pentan-1-one (18494-52-5)

Guidance literature:

With N-chloro-succinimide; palladium 10% on activated carbon; sodium hydrogencarbonate; In tert-butyl methyl ether; at 45 ℃; for 18h; under 45004.5 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/chem.201500779

Reference yield: 91.0%

piperidine (110-89-4) + valeric acid (109-52-4) → 1-(piperidin-1-yl)pentan-1-one (18494-52-5)

Guidance literature:

With tris(2,2,2-trifluoroethyl) borate; for 18h; Dean-Stark; Reflux;

DOI:10.1039/c9ob01012b

upstream raw materials:

piperidine

1,5-Dipentanoyl-[1,3,5]triazinane-2,4-dione

n-pentyl n-pentanoate

butylboronic acid

Downstream raw materials:

1-(pent-1-en-1-yl)piperidine

2-butyl-3-benzoylimidazo[1,2-a]pyridine

Refernces

• 1、 Coomber, Charlotte E.,Laserna, Victor,Martin, Liam T.,Smith, Peter D.,Hailes, Helen C.,Porter, Michael J.,Sheppard, Tom D.. "Catalytic direct amidations in: Tert -butyl acetate using B(OCH2CF3)3". supporting information. p. 6465 - 6469. Retrieved 2019/07/09.
• 2、 -. "MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS". Paragraph 00392. . Retrieved 2017/09/05.