1-Benzylpiperazine

Base Information

• Chemical Name: 1-Benzylpiperazine
• CAS No.: 2759-28-6
• Deprecated CAS: 1190921-62-0
• Molecular Formula: C11H16N2
• Molecular Weight: 176.261
• Hs Code.: 29335995
• European Community (EC) Number: 220-423-6
• NSC Number: 40889
• UNII: 3UG152ZU0E
• DSSTox Substance ID: DTXSID0022197
• Nikkaji Number: J149.807J
• Wikipedia: Benzylpiperazine
• Wikidata: Q161585
• ChEMBL ID: CHEMBL113600
• Mol file: 2759-28-6.mol

Synonyms:1-benzylpiperazine;1-benzylpiperazine dihydrochloride;1-benzylpiperazine fumarate;1-benzylpiperazine hydrochloride;1-benzylpiperazine tartrate;BENZYLPIPERAZINE;Egyt 2760;Egyt-2760

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 1-Benzylpiperazine

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.00996mmHg at 25°C
• Melting Point: 17-20 °C
• Refractive Index: 1.5470
• Boiling Point: 272.1 °C at 760 mmHg
• PKA: 9.25±0.10(Predicted)
• Flash Point: 115.6 °C
• PSA: 15.27000
• Density: 1.025 g/cm³
• LogP: 1.35850
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CC=CC=C2
• Recent NIPH Clinical Trials: Effect of melatonin receptor agonist on treatment of nCPAP

Technology Process of 1-Benzylpiperazine

There total 39 articles about 1-Benzylpiperazine 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: 95.8%

piperazine hydrochloride (7542-23-6,8006-71-1) + benzyl chloride (100-44-7) → 1-phenylmethylpiperazine (2759-28-6)

Guidance literature:

piperazine hydrochloride; benzyl chloride; In 1,4-dioxane; for 9h; Reflux;

With sodium methylate; In 1,4-dioxane; for 4h; Reflux;

Reference yield: 95.0%

4-benzyl-piperazine-1-carboxylic acid tert-butyl ester (57260-70-5) → 1-phenylmethylpiperazine (2759-28-6)

Guidance literature:

In acetonitrile; at 300 ℃; under 75007.5 Torr;

DOI:10.1021/acs.orglett.6b00378

Reference yield: 95.0%

piperazine (110-85-0) + piperazine dihydrochloride (142-64-3,8006-71-1) + benzyl chloride (100-44-7) → 1-phenylmethylpiperazine (2759-28-6)

Guidance literature:

piperazine; piperazine dihydrochloride; In ethanol; at 75 ℃; for 2h;

benzyl chloride; In ethanol; at 75 ℃; for 2h;

DOI:10.1016/j.bioorg.2016.08.008

upstream raw materials:

4-benzylpiperazine-1-carbaldehyde

1-(ethylcarboxy)-4-benzylpiperazine

N-benzyl-N,N-bis(cyanomethyl)amine

piperazine hydrochloride

Downstream raw materials:

1-benzyl-4-(2-hydroxyethyl)piperazine

3-[2-(4-benzyl-piperazin-1-yl)-ethyl]-oxazolidin-2-one

2-(4-benzyl-piperazin-1-yl)-10-methyl-10H-phenothiazine

5-(4-benzylpiperazinyl)uracil

Refernces

• 1、 Juki?, Marko,Frlan, Rok,Chan, Fiona,Kirby, Robert W.,Madge, David J.,Tytgat, Jan,Peigneur, Steve,Anderluh, Marko,Kikelj, Danijel. "Synthesis and biological evaluation of piperazine derivatives as novel isoform selective voltage-gated sodium (Nav) 1.3 channel modulators". . p. 2366 - 2380. Retrieved 2015.
• 2、 O'Dowd, Bing,Williams, Sarah,Wang, Hongxin,No, Joo Hwan,Rao, Guodong,Wang, Weixue,McCammon, J. Andrew,Cramer, Stephen P.,Oldfield, Eric. "Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non-diphosphate Inhibitors". . p. 914 - 920. Retrieved 2017.
• 3、 Nunes, Paulo Sérgio Gon?alves,da Silva, Gabriel,Nascimento, Sofia,Mantoani, Susimaire Pedersoli,de Andrade, Peterson,Bernardes, Emerson Soares,Kawano, Daniel Fábio,Leopoldino, Andreia Machado,Carvalho, Ivone. "Synthesis, biological evaluation and molecular docking studies of novel 1,2,3-triazole-quinazolines as antiproliferative agents displaying ERK inhibitory activity". supporting information. . Retrieved 2021/05/26.
• 4、 Albanese, Valentina,Ruzza, Chiara,Marzola, Erika,Bernardi, Tatiana,Fabbri, Martina,Fantinati, Anna,Trapella, Claudio,Reinscheid, Rainer K.,Ferrari, Federica,Sturaro, Chiara,Calò, Girolamo,Amendola, Giorgio,Cosconati, Sandro,Pacifico, Salvatore,Guerrini, Remo,Preti, Delia. "Structure-Activity Relationship Studies on Oxazolo[3,4- a]pyrazine Derivatives Leading to the Discovery of a Novel Neuropeptide S Receptor Antagonist with Potent in Vivo Activity". . p. 4089 - 4108. Retrieved 2021/04/12.