1-Acetylpiperidine

Base Information

• Chemical Name: 1-Acetylpiperidine
• CAS No.: 618-42-8
• Deprecated CAS: 140864-96-6
• Molecular Formula: C7H13 N O
• Molecular Weight: 127.186
• Hs Code.: 2933399990
• European Community (EC) Number: 210-550-5
• NSC Number: 239
• UNII: 6YC8YEW5QR
• DSSTox Substance ID: DTXSID7060679
• Nikkaji Number: J53.859K
• Wikidata: Q27116893
• ChEMBL ID: CHEMBL12196
• Mol file: 618-42-8.mol

Synonyms:1-ACETYLPIPERIDINE;618-42-8;1-(Piperidin-1-yl)ethanone;N-Acetylpiperidine;Piperidine, 1-acetyl-;N-Acetylpiperidin;Acetic acid, piperidide;N-Acetyl piperidine;Methyl 1-piperidyl ketone;1-piperidin-1-ylethanone;Ethanone, 1-(1-piperidinyl)-;1-Piperidin-1-yl-ethanone;1-(piperidin-1-yl)ethan-1-one;N-Acetylpiperidin [German];NSC 239;EINECS 210-550-5;6YC8YEW5QR;1-(1-piperidinyl)ethanone;BRN 0109570;AI3-11533;CHEBI:36591;NSC-239;MFCD00006486;5-20-02-00440 (Beilstein Handbook Reference);UNII-6YC8YEW5QR;1-(1-piperidyl)ethanone;SCHEMBL8053;CHEMBL12196;NSC239;DTXSID7060679;AKOS003846742;AC-2947;AS-58709;SY106654;LS-114169;A0109;CS-0155037;FT-0607291;S12042;A833442;Q27116893;F0808-1080

Chemical Property of 1-Acetylpiperidine

Chemical Property:

• Melting Point: -13.4°C
• Refractive Index: 1.4790-1.4820
• Boiling Point: 226 ºC
• PKA: -0.41±0.20(Predicted)
• Flash Point: 97 ºC
• PSA: 20.31000
• Density: 0,003 g/cm³
• LogP: 0.95670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

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

1-Acetylpiperidine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCCCC1
• Uses: 1-Acetylpiperidine is used as a reactant in the preparation of benzopyranones and pyrimidoisoquinolinones for DNA-dependent protein kinase inhibitory activity.

Technology Process of 1-Acetylpiperidine

There total 89 articles about 1-Acetylpiperidine 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) + acetic anhydride (108-24-7) → 1-piperidin-1-yl-ethanone (618-42-8)

Guidance literature:

With pyridine; aluminum oxide; at 95 - 97 ℃; for 2h; microwave irradiation;

DOI:10.1016/S0040-4039(02)00732-3

Reference yield: 99.0%

piperidine (110-89-4) + acetonitrile (75-05-8,26809-02-9) → 1-piperidin-1-yl-ethanone (618-42-8)

Guidance literature:

With aluminum oxide; at 200 ℃; for 0.45h; under 37503.8 Torr; Sonication; Green chemistry;

DOI:10.3390/molecules25081985

Reference yield: 99.0%

piperidine (110-89-4) + vinyl acetate (108-05-4,9003-20-7) → 1-piperidin-1-yl-ethanone (618-42-8)

Guidance literature:

With Cp*2Sm(THF)2; In toluene; Ambient temperature;

DOI:10.1021/jo952168m

upstream raw materials:

piperidine

diethyl ether

diacetyl peroxide

ethyl acetylcarbamate

Downstream raw materials:

1-acetyl-2-methoxy-piperidine

N-(1-piperidinoethylidene)-2-cyano-4,5-dimethoxyaniline

(4R,αS)-N(1)-(α-methylbenzyl)-4-phenylazetidin-2-one

N-[(S)-α-methylbenzyl]-4(S)-phenylazetidin-2-one

Refernces

• 1、 Gediya, Shweta K.,Vyas, Vijyesh K.,Clarkson, Guy J.,Wills, Martin. "Asymmetric Transfer Hydrogenation of α-Keto Amides; Highly Enantioselective Formation of Malic Acid Diamides and α-Hydroxyamides". supporting information. p. 7803 - 7807. Retrieved 2021/10/20.
• 2、 Fül?p, Ferenc,Mándity, István M.,Orsy, Gy?rgy. "N-acetylation of amines in continuous-flow with acetonitrile—no need for hazardous and toxic carboxylic acid derivatives". . . Retrieved 2020/04/29.