66698-28-0

Basic information

• Product Name: 1-(4-BROMOPHENYL)PIPERAZINE
• Synonyms: 1-(4-BROMOPHENYL)PIPERAZINE;1-(4-BROMO-PHENYL)-PIPERAZINE DIHYDROCHLORIDE
• CAS NO: 66698-28-0
• Molecular Formula: C₁₀H₁₃BrN₂
• Molecular Weight: 241.13
• Product Categories: Heterocycles;pharmacetical;Piperaizine
• Mol File: 66698-28-0.mol
• Article Data: 13

Chemical Properties

• Melting Point: 93-94°C
• Boiling Point: 353.3 °C at 760 mmHg
• Flash Point: 167.5 °C
• Appearance: /
• Density: 1.386 g/cm³
• Vapor Pressure: 3.62E-05mmHg at 25°C
• Refractive Index: 1.575
• Storage Temp.: 2-8°C
• PKA: 8.88±0.10(Predicted)
• CAS DataBase Reference: 1-(4-BROMOPHENYL)PIPERAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-BROMOPHENYL)PIPERAZINE(66698-28-0)
• EPA Substance Registry System: 1-(4-BROMOPHENYL)PIPERAZINE(66698-28-0)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 20/21/22
• WGK Germany: 1
• Hazardous Substances Data: 66698-28-0(Hazardous Substances Data)

Usage

General Description

1-(4-Bromophenyl)piperazine is a chemical compound with the molecular formula C10H13BrN2. It is a derivative of piperazine and contains a bromine atom attached to the phenyl ring. The compound is commonly used as a precursor or intermediate in the synthesis of various pharmaceuticals and organic compounds. It has also been studied for its potential pharmacological effects, particularly its activity as a serotonin receptor agonist. Additionally, 1-(4-Bromophenyl)piperazine has been investigated for its potential use in the treatment of various neurological and psychological disorders. However, it is important to note that this compound can be hazardous if mishandled, and proper safety precautions should be taken when working with it.

InChI:InChI=1/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

Upstream product

• 334-22-5 N,N-bis(chloro-2-ethyl)amine 
• 106-40-1 4-bromo-aniline 
• 589-87-7 1,4-bromoiodobenzene 
• 352437-09-3 tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate 
• 110-85-0 piperazine 
• 106-37-6 1.4-dibromobenzene 
• 92-54-6 4-phenyl-1-piperazine 
• 821-48-7 bis-(2-chloroethyl)amine hydrochloride 
• 43204-63-3 bis(2-bromoethyl)amine hydrobromide 

Downstream Products

• 117518-29-3 4-(4-bromophenyl)-N-[2-(dimethylamino)ethyl]-1-piperazinecarboxamide 
• 597584-94-6 methyl 3-cyclopropyl-2-[4'-(4-methylpiperazin-1-yl)-1,1'-biphenyl-3-yl]propanoate 
• 597584-91-3 methyl 2-[4'-(4-methylpiperazin-1-yl)-1,1'-biphenyl-3-yl]-3-phenylpropanoate 
• 597584-97-9 methyl 3-cyclobutyl-2-[4'-(4-methylpiperazin-1-yl)-1,1'-biphenyl-3-yl]propanoate 
• 357647-98-4 1-(4-bromophenyl)-4-(methylsulfonyl)piperazine 
• 678996-43-5 1-acetyl-4-(4-bromo-phenyl)-piperazine 
• 1222495-59-1 1-(methylsulfonyl)-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine 
• 1222495-61-5 3-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester 
• 1222495-64-8 3-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester 
• 1222495-66-0 3-[4-(4-Methanesulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]octane 
• 1422513-03-8 3-(4-(4-(4-bromophenyl)piperazin-1-yl)butyl)indolin-2-one 
• 1422513-04-9 3-(4-(4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazin-1-yl)butyl)indolin-2-one 
• 1150271-33-2 4-(4-bromophenyl)piperazine-1-carboxylic acid benzyl ester 
• 130307-08-3 1-bromo-4-(4-methyl-1-piperazinyl)benzene 

Relevant articles and documents

Novel piperazine based compounds as potential inhibitors for SARS-CoV-2 Protease Enzyme: Synthesis and molecular docking study

Structurally diverse piperazine-based compounds hybrid with thiadiazole, isatin or with sulfur/nitrogen, functionalities were synthesized. The structures of the new compounds were established based on their spectral data and elemental analysis. The physicochemical, bioactivity scores and pharmacokinetic behavior of all the prepared ligands were evaluated using in silico computational tools. The new piperazine ligands have been screened for their inhibition activity against SARS-CoV-2 protease enzyme using molecular docking analysis. The docking studies showed that all the ligands have been docked with negative dock energy onto the target protease protein. Moreover, Molecular interaction studies revealed that SARS-CoV-2 protease enzyme had strong hydrogen bonding interactions with piperazine ligands. The present in silico study thus, provided some guidance to facilitate drug design targeting the SARS-CoV-2 main protease.

COMPOUND SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF

A compound having a general structural formula as shown in Formula I: X-AB-Y (Formula I); in the above Formula I, X is selected from any one of -CO2H, -CONHZ, -CH=CH-CO2H, -CH=CH-CONHZ, wherein Z is selected from any one of substituted or unsubstituted C1-C12 alkyl, substituted or unsubstituted aryl, and hydroxyl; Y = -NR1R2, wherein NR1R2 is a substituted or unsubstituted 3- to 9-membered nitrogen-containing heterocycloalkyl; A and B are each independently selected from substituted or unsubstituted phenylene, substituted or unsubstituted azaphenylene. The compound or corresponding pharmaceutical salt thereof can inhibit LSD1 and HDAC target proteins at the same time, thus inhibit the proliferation of many kinds of tumor cells and have good antitumor effect.

Ni-Catalyzed Reductive Cyanation of Aryl Halides and Phenol Derivatives via Transnitrilation

Herein, we report a Ni-catalyzed reductive coupling for the synthesis of benzonitriles from aryl (pseudo)halides and an electrophilic cyanating reagent, 2-methyl-2-phenyl malononitrile (MPMN). MPMN is a bench-stable, carbon-bound electrophilic CN reagent that does not release cyanide under the reaction conditions. A variety of medicinally relevant benzonitriles can be made in good yields. Addition of NaBr to the reaction mixture allows for the use of more challenging aryl electrophiles such as aryl chlorides, tosylates, and triflates. Mechanistic investigations suggest that NaBr plays a role in facilitating oxidative addition with these substrates.