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

Base Information

• Chemical Name: 2-(4-Benzylpiperazin-1-yl)acetonitrile
• CAS No.: 92042-93-8
• Molecular Formula: C13H17 N3
• Molecular Weight: 215.298
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10397397
• Wikidata: Q82198695
• ChEMBL ID: CHEMBL231403
• Mol file: 92042-93-8.mol

Synonyms:2-(4-benzylpiperazin-1-yl)acetonitrile;92042-93-8;(4-benzylpiperazin-1-yl)acetonitrile;HMS1717L15;1-(Cyanomehtyl)-4-benzylpiperazine;(4-Benzyl-piperazin-1-yl)-acetonitrile;CHEMBL231403;SCHEMBL1307217;DTXSID10397397;N-benzyl-N'-cyanomethylpiperazine;ATUPEPBRQNHPDY-UHFFFAOYSA-N;MFCD00078192;(4-benzyl-1-piperazinyl)acetonitrile;AKOS001115607;BS-24620;1-Piperazineacetonitrile, 4-(phenylmethyl)-;CS-0212923;FT-0769934;EN300-10718;A25604;Z56347548

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

Chemical Property:

• Vapor Pressure: 6.05E-05mmHg at 25°C
• Boiling Point: 345.7°C at 760 mmHg
• Flash Point: 146.5°C
• PSA: 30.27000
• Density: 1.088g/cm³
• LogP: 1.20358
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.142247555
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Benzylpiperazin-1-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC#N)CC2=CC=CC=C2

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

There total 8 articles about 2-(4-Benzylpiperazin-1-yl)acetonitrile 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: 96.0%

1-phenylmethylpiperazine (2759-28-6) + chloroacetonitrile (107-14-2) → 2-(1-benzylpiperazin-4-yl)acetonitrile (92042-93-8)

Guidance literature:

With potassium carbonate; Heating;

DOI:10.1021/jm001088u

Reference yield: 88.0%

1-[(4-benzylpiperazin-1-yl)methyl]-1H-benzo[d][1,2,3]triazole (83991-49-5) + sodium cyanide (143-33-9,25596-52-5) → 2-(1-benzylpiperazin-4-yl)acetonitrile (92042-93-8)

Guidance literature:

In dimethyl sulfoxide; at 25 ℃;

DOI:10.1016/j.ejmech.2006.10.009

Reference yield: 85.0%

1-phenylmethylpiperazine (2759-28-6) + cyanomethyl bromide (590-17-0) → 2-(1-benzylpiperazin-4-yl)acetonitrile (92042-93-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 24h; Ambient temperature;

DOI:10.1021/jm950759z

upstream raw materials:

1-phenylmethylpiperazine

chloroacetonitrile

cyanomethyl bromide

1-[(4-benzylpiperazin-1-yl)methyl]-1H-benzo[d][1,2,3]triazole

Downstream raw materials:

N-[2-[4-(phenylmethyl)piperazinyl]ethyl]carbamic acid 1,1-dimethylethyl ester

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

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

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

Refernces

• 1、 García, Mónica,Llorente, Virginia,Garriga, Lourdes,Christmann, Ute,Rodríguez-Escrich, Sergi,Virgili, Marina,Fernández, Bego?a,Bordas, Magda,Ayet, Eva,Burgue?o, Javier,Pujol, Marta,Dordal, Albert,Portillo-Salido, Enrique,Gris, Georgia,Vela, José Miguel,Almansa, Carmen. "Propionamide Derivatives as Dual μ-Opioid Receptor Agonists and σ1Receptor Antagonists for the Treatment of Pain". . p. 10139 - 10154. Retrieved 2021/07/28.
• 2、 -. "3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES". Page/Page column 142. . Retrieved 2008/12/04.