1-(3-Bromobenzyl)piperazine

Base Information

• Chemical Name: 1-(3-Bromobenzyl)piperazine
• CAS No.: 423154-81-8
• Molecular Formula: C11H15 Br N2
• Molecular Weight: 255.15
• Hs Code.: 29335990
• European Community (EC) Number: 674-800-9
• DSSTox Substance ID: DTXSID30358086
• Wikidata: Q82138376
• Mol file: 423154-81-8.mol

Synonyms:1-(3-bromobenzyl)piperazine;423154-81-8;1-[(3-bromophenyl)methyl]piperazine;1-(3-BROMOBENZYL)-PIPERAZINE;Oprea1_497862;SCHEMBL532807;1-(3-bromo benzyl)-piperazine;1-(3-Bromo-benzyl)-piperazine;DTXSID30358086;1-(3-Bromobenyl)piperazine 2HCl;1-(3-Bromobenzyl)piperazine 97%;MFCD02211309;STK312545;AKOS000124822;FS-5708;BB 0249419;FT-0644600;A10366;A18767;EN300-230662;Z228584072

Chemical Property of 1-(3-Bromobenzyl)piperazine

Chemical Property:

• Vapor Pressure: 0.000178mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 329.4°C at 760 mmHg
• PKA: 9.13±0.10(Predicted)
• Flash Point: 153°C
• 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:

97% ^*data from raw suppliers

1-(3-Bromobenzyl)piperazine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CC(=CC=C2)Br

Technology Process of 1-(3-Bromobenzyl)piperazine

There total 3 articles about 1-(3-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: 79.0%

piperazine (110-85-0) + meta-bromobenzyl bromide (823-78-9) → 1-(3-bromobenzyl)piperazine (423154-81-8)

Guidance literature:

In toluene; at 85 ℃; for 2h;

DOI:10.1071/CH02093

Reference yield:

tert-butyl 4-(3-bromobenzyl)piperazine-1-carboxylate (865314-27-8) → 1-(3-bromobenzyl)piperazine (423154-81-8)

Guidance literature:

tert-butyl 4-(3-bromobenzyl)piperazine-1-carboxylate; With water; trifluoroacetic acid; In dichloromethane; for 3.5h;

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield:

→ 1-(3-bromobenzyl)piperazine (423154-81-8)

Guidance literature:

upstream raw materials:

piperazine

meta-bromobenzyl bromide

tert-butyl 4-(3-bromobenzyl)piperazine-1-carboxylate

Downstream raw materials:

C₂₉H₂₈BrClN₆O

C₂₃H₂₅BrN₆O₂