1-Phenyl-2-(1-piperidinyl)ethanone

Base Information

• Chemical Name: 1-Phenyl-2-(1-piperidinyl)ethanone
• CAS No.: 779-52-2
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• NSC Number: 26918
• DSSTox Substance ID: DTXSID00275377
• Nikkaji Number: J553.538G
• Wikidata: Q82005294
• ChEMBL ID: CHEMBL1875675
• Mol file: 779-52-2.mol

Synonyms:779-52-2;1-Phenyl-2-(1-piperidinyl)ethanone;NSC26918;a-piperidylacetophenone;alpha-Piperidinoacetophenone;SCHEMBL3928222;CHEMBL1875675;DTXSID00275377;NSC 26918;NSC-26918;AKOS008964112;1-Phenyl-2-(1-piperidinyl)ethanone #;Acetophenone, .alpha.-(1-piperidinyl)-;Ethanone, 1-phenyl-2-(1-piperidinyl)-;NCGC00184264-01;1-Phenyl-2-(piperidin-1-yl)ethan-1-one

Chemical Property of 1-Phenyl-2-(1-piperidinyl)ethanone

Chemical Property:

• Vapor Pressure: 0.000361mmHg at 25°C
• Boiling Point: 318.5°Cat760mmHg
• Flash Point: 116°C
• Density: 1.045g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC(=O)C2=CC=CC=C2

Technology Process of 1-Phenyl-2-(1-piperidinyl)ethanone

There total 22 articles about 1-Phenyl-2-(1-piperidinyl)ethanone 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: 97.0%

piperidine (110-89-4) + iodoacetophenone (4636-16-2) → 1-phenyl-2-piperidin-1-yl-ethanone (779-52-2)

Guidance literature:

at 20 ℃;

DOI:10.1039/c2gc35489f

Reference yield: 95.0%

piperidine (110-89-4) + α-bromoacetophenone (70-11-1) → 1-phenyl-2-piperidin-1-yl-ethanone (779-52-2)

Guidance literature:

In benzene; at 0 ℃; for 1h;

DOI:10.1071/CH9810383

Reference yield: 90.0%

piperidine (110-89-4) + 2-Phenyl-cyano-oxiran → 1-phenyl-2-piperidin-1-yl-ethanone (779-52-2)

Guidance literature:

for 72h; Ambient temperature;

DOI:10.1002/ardp.19863191211

upstream raw materials:

piperidine

2-diazo-acetophenone

1-chloroacetophenone

α-bromoacetophenone

Downstream raw materials:

benzoic acid-(1-phenyl-2-piperidino-ethyl ester); hydrochloride

[(C₅H₁₀NCHCC₆H₅O)2Ni]

[(C₅H₁₀NCHCC₆H₅O)Zr(C₅H₅)2Cl]

1-(phenylglyoxylyl)piperidine

Refernces

• 1、 Cazin, Catherine S. J.,Gómez-Herrera, Alberto,Hashim, Ishfaq Ibni,Nahra, Fady,Porré, Marre. "Au(I)-Catalyzed Hydration of 1-Iodoalkynes Leading to α-Iodoketones". supporting information. p. 6790 - 6794. Retrieved 2020/11/23.
• 2、 Li, Yanan,Gao, Huihui,Zhang, Zhenlei,Qian, Peng,Bi, Meixiang,Zha, Zhenggen,Wang, Zhiyong. "Electrochemical synthesis of α-enaminones from aryl ketones". . p. 8600 - 8603. Retrieved 2016/07/13.