2-Benzylpiperidine

Base Information

• Chemical Name: 2-Benzylpiperidine
• CAS No.: 32838-55-4
• Molecular Formula: C12H17N
• Molecular Weight: 175.274
• Hs Code.: 2933399090
• European Community (EC) Number: 251-255-1
• UNII: 8M5DNQ89DJ
• DSSTox Substance ID: DTXSID40871372
• Nikkaji Number: J88.826E
• Wikipedia: 2-Benzylpiperidine
• Wikidata: Q4596861
• ChEMBL ID: CHEMBL1187953
• Mol file: 32838-55-4.mol

Synonyms:2-Benzylpiperidine;32838-55-4;Piperidine, 2-(phenylmethyl)-;2-Benzyl-piperidine;2-(Phenylmethyl)piperidine;Piperidine, 2-benzyl-;BRN 0131929;EINECS 251-255-1;8M5DNQ89DJ;MFCD01701452;5-20-06-00438 (Beilstein Handbook Reference);CHEMBL534502;rac 2-Benzylpiperidine;(S)-2-Benzylpiperidine hydrochloride;UNII-8M5DNQ89DJ;PIPERIDINE 2-BENZYL-;MLS001181027;SCHEMBL2707343;CHEMBL1187953;DTXSID40871372;HMS1704E18;HMS2842D21;ZDA11294;BDBM50212370;STK500821;AKOS004120248;AKOS016343969;AB09793;FS-1992;SB47960;NCGC00247242-01;AM807244;SMR000477585;LS-114273;BB 0253721;CS-0137918;FT-0639058;EN300-61878;A821450;AO-801/41077501;J-018900;Q4596861;Z336080118

Chemical Property of 2-Benzylpiperidine

Chemical Property:

• Vapor Pressure: 0.000698mmHg at 25°C
• Melting Point: 32°C
• Refractive Index: 1.5227 (estimate)
• Boiling Point: 267.5 °C at 760 mmHg
• PKA: 10.55±0.10(Predicted)
• Flash Point: 116.129 °C
• PSA: 12.03000
• Density: 0.969 g/cm³
• LogP: 2.70000
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

98%min ^*data from raw suppliers

2-Benzylpiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC(C1)CC2=CC=CC=C2

Technology Process of 2-Benzylpiperidine

There total 24 articles about 2-Benzylpiperidine 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%

phenyl(pyridin-2-yl)methanone (91-02-1) → 2-benzylpiperidine (32838-55-4)

Guidance literature:

With palladium on activated charcoal; hydrogen; acetic acid; at 20 ℃; for 8h; under 760.051 Torr;

Reference yield: 87.0%

[1-(2-Benzyl-piperidin-1-yl)-meth-(E)-ylidene]-tert-butyl-amine (89656-42-8) → 2-benzylpiperidine (32838-55-4)

Guidance literature:

With potassium hydroxide; In methanol; water; at 60 ℃; for 12h;

DOI:10.1021/ja00323a035

Reference yield: 77.0%

2-benzyl-3,4,5,6-tetrahydropyridine (95018-41-0) → 2-benzylpiperidine (32838-55-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Ambient temperature;

DOI:10.1021/jo00207a023

upstream raw materials:

2-Benzylpyridine

[1-(2-Benzyl-piperidin-1-yl)-meth-(E)-ylidene]-tert-butyl-amine

2-benzyl-3,4,5,6-tetrahydropyridine

[1-(2-Benzyl-piperidin-1-yl)-meth-(E)-ylidene]-tert-butyl-amine

Downstream raw materials:

N-Methyl-2-(phenylmethyl)piperidine

2-Benzyl-5'-nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-6'-carbonitrile

6-(2-Benzyl-piperidine-1-sulfonyl)-quinazoline-2,4-diamine

(2R)-2-benzylpiperidine

Refernces

• 1、 Kim, Tae Wan,Oh, Jinho,Suh, Young-Woong. "Hydrogenation of 2-benzylpyridine over alumina-supported Ru catalysts: Use of Ru3(CO)12 as a Ru precursor". . p. 183 - 190. Retrieved 2017.
• 2、 -. "PRODUCTION METHOD OF CYCLIC COMPOUND". Paragraph 0057; 0059; 0062-0064. . Retrieved 2021/05/05.
• 3、 Paul, Anirudra,Seidel, Daniel. "α-Functionalization of Cyclic Secondary Amines: Lewis Acid Promoted Addition of Organometallics to Transient Imines". supporting information. p. 8778 - 8782. Retrieved 2019/06/07.