2-(4-Benzylpiperidin-1-yl)ethanamine

Base Information

• Chemical Name: 2-(4-Benzylpiperidin-1-yl)ethanamine
• CAS No.: 25842-32-4
• Molecular Formula: C14H22N2
• Molecular Weight: 218.342
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40381567
• Nikkaji Number: J3.605.618E
• Wikidata: Q27455890
• Pharos Ligand ID: FUHHWFZTPX8R
• ChEMBL ID: CHEMBL3780926
• Mol file: 25842-32-4.mol

Synonyms:2-(4-benzylpiperidin-1-yl)ethanamine;25842-32-4;2-(4-benzylpiperidino)-1-ethanamine;2-(4-benzylpiperidin-1-yl)ethylamine;2-(4-benzyl-piperidin-1-yl)-ethylamine;CHEMBL3780926;2-[4-(Phenylmethyl)piperidin-1-Yl]ethanamine;1-(2-aminoethyl)-4-benzylpiperidine;1-Piperidineethanamine,4-(phenylmethyl)-;SCHEMBL543919;DTXSID40381567;PCNDXYHWLSHXMV-UHFFFAOYSA-N;BDBM50158094;MFCD03659719;N-(2-aminoethyl)-4-benzylpiperidine;STK500810;2-(4-Benzylpiperdin-1-yl)ethylamine;AKOS000266423;SB43377;PS-11154;2-(4-benzylpiperidin-1-yl)ethan-1-amine;BB 0255077;FT-0608584;J3.605.618E;A877460;Q27455890;5NR

Chemical Property of 2-(4-Benzylpiperidin-1-yl)ethanamine

Chemical Property:

• Vapor Pressure: 0.000158mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 331.2 °C at 760 mmHg
• PKA: 10.21±0.10(Predicted)
• Flash Point: 141.8 °C
• PSA: 29.26000
• Density: 1.005 g/cm³
• LogP: 2.53800
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 218.178298710
• Heavy Atom Count: 16
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-benzylpiperidin-1-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1CC2=CC=CC=C2)CCN

Technology Process of 2-(4-Benzylpiperidin-1-yl)ethanamine

There total 4 articles about 2-(4-Benzylpiperidin-1-yl)ethanamine 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: 98.0%

2-(4-benzylpiperidin-1-yl)acetonitrile (25842-31-3) → 1-(2-aminoethyl)-4-benzylpiperidine (25842-32-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 24h; Heating;

DOI:10.1021/jm00173a011

Reference yield: 85.0%

2-(2-(4-benzylpiperidin-1-yl)ethyl)isoindoline-1,3-dione (182223-59-2) → 1-(2-aminoethyl)-4-benzylpiperidine (25842-32-4)

Guidance literature:

With hydrazine hydrate; In methanol; for 2h; Reflux;

DOI:10.3390/ph13080161

Reference yield:

4-benzylpyperidine (31252-42-3) → 1-(2-aminoethyl)-4-benzylpiperidine (25842-32-4)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃; KI / butan-2-one / Heating

2: hydrazine / ethanol / Heating

With potassium carbonate; potassium iodide; hydrazine; In ethanol; butanone;

DOI:10.1016/S0960-894X(02)00206-8

upstream raw materials:

2-(4-benzylpiperidin-1-yl)acetonitrile

2-(2-(4-benzylpiperidin-1-yl)ethyl)isoindoline-1,3-dione

4-benzylpyperidine

Downstream raw materials:

N-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-benzamide

Refernces

• 1、 Varano, Flavia,Catarzi, Daniela,Vigiani, Erica,Vincenzi, Fabrizio,Pasquini, Silvia,Varani, Katia,Colotta, Vittoria. "Piperazine-and piperidine-containing thiazolo[5,4-d]pyrimidine derivatives as new potent and selective adenosine a2a receptor inverse agonists". . p. 1 - 19. Retrieved 2020/07/31.
• 2、 Salvati, Erica,Botta, Lorenzo,Amato, Jussara,Di Leva, Francesco Saverio,Zizza, Pasquale,Gioiello, Antimo,Pagano, Bruno,Graziani, Grazia E.,Tarsounas, Madalena,Randazzo, Antonio,Novellino, Ettore,Biroccio, Annamaria,Cosconati, Sandro. "Lead Discovery of Dual G-Quadruplex Stabilizers and Poly(ADP-ribose) Polymerases (PARPs) Inhibitors: A New Avenue in Anticancer Treatment". . p. 3626 - 3635. Retrieved 2017/05/17.