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

Base Information

• Chemical Name: 2-(4-Benzylpiperazin-1-yl)ethanamine
• CAS No.: 4553-21-3
• Molecular Formula: C13H21N3
• Molecular Weight: 219.33
• Hs Code.: 29339900
• European Community (EC) Number: 670-338-7
• DSSTox Substance ID: DTXSID90370683
• Wikidata: Q72442726
• Mol file: 4553-21-3.mol

Synonyms:4553-21-3;2-(4-benzylpiperazin-1-yl)ethanamine;1-(2-aminoethyl)-4-benzylpiperazine;1-(2-Aminoethyl)-4-benzyl piperazine;2-(4-benzylpiperazino)ethan-1-amine;2-(4-benzyl-1-piperazinyl)ethanamine;2-(4-Benzylpiperazin-1-yl)ethylamine;1-(2-Aminoethyl)-4-benzyl-piperazine;2-(4-Benzylpiperazin-1-Yl)Ethan-1-Amine;MFCD00831097;2-(4-benzyl-piperazin-1-yl)-ethylamine;4,4'-Diaminobenzylpiperazine;SCHEMBL249489;4-benzylpiperazin-1ylethylamine;4-benzylpiperazin-1 ylethylamine;DTXSID90370683;CXEJMFLWEVKOGS-UHFFFAOYSA-N;HMS1717D15;STR07724;2-(4-benzyl-piperazino)-ethylamine;BBL029045;STL151436;AKOS000201662;PS-3043;A7171;CS-0308090;FT-0604312;2-[4-(phenylmethyl)-1-piperazinyl]ethylamine;EC-000.1604;EN300-10720;J-505903

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

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.000118mmHg at 25°C
• Melting Point: 247℃
• Boiling Point: 335.6 °C at 760 mmHg
• PKA: 10.11±0.10(Predicted)
• Flash Point: 154.6 °C
• PSA: 32.50000
• Density: 1.053 g/cm³
• LogP: 1.33900
• Sensitive.: Air Sensitive
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 219.173547683
• Heavy Atom Count: 16
• Complexity: 182

Purity/Quality:

98% ^*data from raw suppliers

1-(2-Aminoethyl)-4-benzylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-37-24/25-23

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1CCN)CC2=CC=CC=C2

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

There total 13 articles about 2-(4-Benzylpiperazin-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: 100.0%

2‐((2‐4‐benzylpiperazinil‐1‐yl)ethyl)isoindoline‐1,3‐dione (4553-20-2) → 2-(4-benzylpiperazin-1-yl)-ethylamine (4553-21-3)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 - 80 ℃; for 18h;

Reference yield: 95.0%

2-(1-benzylpiperazin-4-yl)acetonitrile (92042-93-8) → 2-(4-benzylpiperazin-1-yl)-ethylamine (4553-21-3)

Guidance literature:

2-(1-benzylpiperazin-4-yl)acetonitrile; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 3h; Heating / reflux;

With water; In tetrahydrofuran; for 15h;

Reference yield: 92.0%

2-bromoethylamine (107-09-5) + 1-phenylmethylpiperazine (2759-28-6) → 2-(4-benzylpiperazin-1-yl)-ethylamine (4553-21-3)

Guidance literature:

With potassium carbonate; In acetonitrile; at 100 ℃; for 0.166667h; under 5171.62 Torr; Microwave irradiation;

DOI:10.1016/j.tetlet.2013.10.047

upstream raw materials:

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

N-benzyloxycarbonyl-2-(4-benzylpiperazin-1-yl)ethylamine

1-phenylmethylpiperazine

2‐((2‐4‐benzylpiperazinil‐1‐yl)ethyl)isoindoline‐1,3‐dione

Downstream raw materials:

N-(2-(4-Benzylpiperazin-1-yl)ethyl)-2-nitrobenzamide

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

N-(2-(4-Benzylpiperazin-1-yl)ethyl)benzamide

N-(2-(4-benzylpiperazin-1-yl)ethyl)aniline

Refernces

• 1、 Queda, Fausto,Calò, Sonia,Gwizdala, Karolina,Magalh?es, Jo?o D.,Cardoso, Sandra M.,Chaves, Sílvia,Piemontese, Luca,Amélia Santos. "Novel donepezil?arylsulfonamide hybrids as multitarget-directed ligands for potential treatment of Alzheimer?s disease". . . Retrieved 2021/04/26.
• 2、 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.