1-(4-Bromobenzyl)piperazine

Base Information

• Chemical Name: 1-(4-Bromobenzyl)piperazine
• CAS No.: 91345-62-9
• Molecular Formula: C11H15BrN2
• Molecular Weight: 255.157
• Hs Code.: 2933599090
• European Community (EC) Number: 624-014-7
• DSSTox Substance ID: DTXSID20919807
• Nikkaji Number: J2.315.339D
• Wikidata: Q72451961
• Mol file: 91345-62-9.mol

Synonyms:1-(4-Bromobenzyl)piperazine;91345-62-9;1-[(4-bromophenyl)methyl]piperazine;1-(4-bromo-benzyl)-piperazine;CBMicro_035222;1-Naphthylditelluride;Cambridge id 5862395;Oprea1_363412;SCHEMBL725147;DTXSID20919807;MAHWBNAOEVAPJF-UHFFFAOYSA-N;1-(4-Bromobenzyl)piperazine, 97%;CCG-18344;MFCD02177416;STK386660;AKOS000161547;AS-44266;BIM-0035466.P001;BB 0249420;EU-0007961;FT-0642198;EN300-110900;AB00099613-01;Z281777088;5862-39-5

Chemical Property of 1-(4-Bromobenzyl)piperazine

Chemical Property:

• Appearance/Colour: UN 3259
• Vapor Pressure: 0.000178mmHg at 25°C
• Melting Point: 56-62 °C(lit.)
• Refractive Index: 1.575
• Boiling Point: 329.4 °C at 760 mmHg
• Flash Point: 153 °C
• PSA: 15.27000
• Density: 1.356 g/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: 161

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(4-Bromobenzyl)piperazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 22-34-36/37/38
• Safety Statements: 26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Bromobenzyl)piperazine

There total 8 articles about 1-(4-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: 94.0%

→ 1-(4-bromobenzyl)piperazine (91345-62-9)

Guidance literature:

In tetrahydrofuran; for 2.5h; Reflux;

Reference yield: 76.5%

piperazine (110-85-0) + p-bromobenzyl chloride (589-17-3) → 1-(4-bromobenzyl)piperazine (91345-62-9)

Guidance literature:

In ethanol; for 8h; Reflux;

DOI:10.1002/ardp.201600377

Reference yield: 38.0%

piperazine (110-85-0) + 1-bromomethyl-4-bromobenzene (589-15-1) → 1-(4-bromobenzyl)piperazine (91345-62-9)

Guidance literature:

In toluene; at 85 ℃; for 2h;

DOI:10.1071/CH02093

upstream raw materials:

piperazine

1-bromomethyl-4-bromobenzene

4-bromo-benzaldehyde

tert-butyl 4-[(4-bromophenyl)methyl]piperazine-1-carboxylate

Downstream raw materials:

4-[(4-methylpiperazin-1-yl)methyl]bromobenzene

4-(4-bromo-benzyl)-piperazine-1-carboxylic acid amide

(S)-1-amino-N-(1-cyano-2-(4'-((4-(oxazol-2-ylmethyl)piperazin-1-yl)methyl)biphenyl-4-yl)ethyl)cyclohexanecarboxamide

PZ₁₀₅₇-2

Refernces

• 1、 Mahmoudi, Yaser,Badali, Hamid,Hashemi, Seyedeh Mahdieh,Ansari, Mahsa,Fakhim, Hamed,Fallah, Marjan,Shokrzadeh, Mohammad,Emami, Saeed. "New potent antifungal triazole alcohols containing N-benzylpiperazine carbodithioate moiety: Synthesis, in vitro evaluation and in silico study". . . Retrieved 2019/06/24.
• 2、 Aboul-Enein, Mohamed Nabil,El-Azzouny, Aida M. Abd El-Sattar,Ragab, Fatma Abdel-Fattah,Hamissa, Mohamed Farouk. "Design, Synthesis, and Cytotoxic Evaluation of Certain 7-Chloro-4-(piperazin-1-yl)quinoline Derivatives as VEGFR-II Inhibitors". . . Retrieved 2017/04/11.