1-(2-Bromobenzyl)piperazine

Base Information

• Chemical Name: 1-(2-Bromobenzyl)piperazine
• CAS No.: 298705-59-6
• Molecular Formula: C11H15BrN2
• Molecular Weight: 255.15400
• Hs Code.: 2933599090
• European Community (EC) Number: 674-792-7
• DSSTox Substance ID: DTXSID70354148
• Wikidata: Q82132137
• Mol file: 298705-59-6.mol

Synonyms:1-(2-bromobenzyl)piperazine;298705-59-6;1-[(2-bromophenyl)methyl]piperazine;1-(2-bromo-benzyl)piperazine;1-(2-Bromo-benzyl)-piperazine;1-(2-bromobenzyl)-piperazine;Oprea1_196038;Oprea1_678397;SCHEMBL2925269;DTXSID70354148;YLA70559;MFCD02040754;STK097332;AKOS000125199;AS-44261;BB 0249418;FT-0644367;EN300-231773;Z228584068

Chemical Property of 1-(2-Bromobenzyl)piperazine

Chemical Property:

• Vapor Pressure: 0.000233mmHg at 25°C
• Boiling Point: 325.2oC at 760 mmHg
• Flash Point: 150.5oC
• PSA: 15.27000
• Density: 1.356g/cm3
• LogP: 2.12100
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 254.04186
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Bromobenzyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CC=CC=C2Br

Technology Process of 1-(2-Bromobenzyl)piperazine

There total 4 articles about 1-(2-Bromobenzyl)piperazine 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: 77.0%

4-(2-bromo-benzyl)-piperazine-1-carboxylic acid tert-butyl ester (460094-85-3) → 1-(2-bromo-benzyl)-piperazine (298705-59-6)

Guidance literature:

With trifluoroacetic acid; In chloroform; at 20 ℃; for 3h;

DOI:10.1016/S0014-827X(03)00150-2

Reference yield: 75.0%

piperazine (110-85-0) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → 1-(2-bromo-benzyl)-piperazine (298705-59-6)

Guidance literature:

In toluene; at 85 ℃; for 2h;

DOI:10.1071/CH02093

Reference yield:

1-Bromo-2-bromomethyl-benzene (3433-80-5) → 1-(2-bromo-benzyl)-piperazine (298705-59-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / Et₃N; KI / ethanol / 16 h / Heating

2: 77 percent / TFA / CHCl₃ / 3 h / 20 °C

With triethylamine; trifluoroacetic acid; potassium iodide; In ethanol; chloroform;

DOI:10.1016/S0014-827X(03)00150-2

upstream raw materials:

piperazine

1-Bromo-2-bromomethyl-benzene

4-(2-bromo-benzyl)-piperazine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

C₂₉H₂₈BrClN₆O

C₂₃H₂₅BrN₆O₂

2-(4-(2-bromobenzyl)piperazin-1-yl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-7-yl)acetamide

Refernces

• 1、 Bolognesi, Maria Laura,Cavalli, Andrea,Andrisano, Vincenza,Bartolini, Manuela,Banzi, Rita,Antonello, Alessandra,Rosini, Michela,Melchiorre, Carlo. "Design, synthesis and biological evaluation of ambenonium derivatives as AChE inhibitors". . p. 917 - 928. Retrieved 2007/10/03.