940-05-6

Basic information

• Product Name: 2-bromo-1-(bromomethyl)-4-nitrobenzene
• Synonyms: 2-bromo-1-(bromomethyl)-4-nitrobenzene;2-broMo-4-nitrobenzyl broMide;Benzene, 2-bromo-1-(bromomethyl)-4-nitro-
• CAS NO: 940-05-6
• Molecular Formula: C₇H₅Br₂NO₂
• Molecular Weight: 294.94
• Mol File: 940-05-6.mol
• Article Data: 5

Chemical Properties

• Melting Point: 73-74°
• Boiling Point: 348°Cat760mmHg
• Flash Point: 164.3°C
• Appearance: /
• Density: 2.006g/cm³
• Vapor Pressure: 0.000104mmHg at 25°C
• Refractive Index: 1.642
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 2-bromo-1-(bromomethyl)-4-nitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-bromo-1-(bromomethyl)-4-nitrobenzene(940-05-6)
• EPA Substance Registry System: 2-bromo-1-(bromomethyl)-4-nitrobenzene(940-05-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 940-05-6(Hazardous Substances Data)

Usage

General Description

2-bromo-1-(bromomethyl)-4-nitrobenzene is a chemical compound with the molecular formula C7H5Br2NO2. It is a nitrobenzene derivative that contains two bromine atoms and a nitro group attached to a benzene ring. 2-bromo-1-(bromomethyl)-4-nitrobenzene is used in the synthesis of various pharmaceuticals, agrochemicals, and dyes. It also serves as a building block for the production of organic materials and is utilized in research and development of new chemical compounds. The presence of bromine and nitro groups in 2-bromo-1-(bromomethyl)-4-nitrobenzene makes it a potent electrophile, capable of engaging in various chemical reactions such as nucleophilic substitution, oxidation, and reduction. Overall, this chemical compound has versatile applications and plays a crucial role in the field of organic chemistry.

InChI:InChI=1/C7H5Br2NO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2

Upstream product

• 7745-93-9 2-bromo-4-nitrotoluene 
• 585-79-5 m-nitrobromobenzene 

Downstream Products

• 128651-71-8 2-Acetylamino-N-(2-bromo-4-nitrobenzyl)aniline 
• 93007-35-3 2-Brom-4-nitro-benzylacetylamino-malonester 
• 267243-37-8 2-bromo-4-nitro-N,N-dimethylbenzylamine 
• 267243-38-9 4-amino-2-bromo-N,N-dimethylbenzylamine 
• 267243-42-5 6-amino-4-[N-[3-bromo-4-(dimethylaminomethyl)phenyl]amino]quinazoline 
• 198961-98-7 4-[N-[3-bromo-4-(dimethylaminomethyl)phenyl]amino]-6-nitroquinazoline 
• 128651-73-0 2-Acetylamino-N-(2-cyano-4-nitrobenzylidene)aniline 
• 93088-87-0 2-Brom-4-amino-benzyl-acetylamino-malonester 
• 95426-12-3 2-Brom-4-di-(2-chlor-ethyl)-amino-benzyl-acetylamino-malonester 
• 94867-67-1 (2-Brom-4-di-(2-hydroxy-ethyl)-amino-benzyl)-acetylamino-malonester 
• 92905-45-8 2-Brom-4-di-(2-chlor-ethyl)-amino-dl-phenylalanin (2-Brom-sarkolysin) 
• 943320-69-2 1-(2-bromo-4-nitro-benzyl)-4-methyl-piperazine 
• 1341231-16-0 2-(hex-1-ynyl)-4-nitrobenzaldehyde 
• 5274-71-5 2-bromo-4-nitro-benzaldehyde 

Relevant articles and documents

Accelerated Discovery of Novel Ponatinib Analogs with Improved Properties for the Treatment of Parkinson's Disease

Parkinson's disease (PD) is a debilitating and common neurodegenerative disease. New insights implicating c-Abl activation as a driving force in PD have opened a new drug development avenue for PD treatment beyond the symptomatic relief by L-DOPA. BCR-Abl inhibitors, which include nilotinib and ponatinib, have been found to inhibit this process, and nilotinib has shown improvement in outcomes in a 12-patient, nonrandomized trial. However, nilotinib is a potent inhibitor of hERG, a cardiac K+ channel whose inhibition increases risk of sudden death. We used our machine learning approach to predict novel molecules that would inhibit c-Abl while also having minimal liability against hERG. Of our six novel compounds tested, we identified two that had c-Abl potencies comparable to nilotinib, but with significantly improved profiles regarding the hERG channel. Our best compound exhibited a hERG IC50 of 12.1 μM (compared to nilotinib with an IC50 of 0.45 μM and ponatinib with IC50 of 0.767 μM). This work is a step forward for a machine learning enabled, multiparameter optimization of a chemical space and represents a significant advance in the development of novel Parkinson's therapies.

Tandem Pd-catalyzed C-C coupling/recyclization of 2-(2-bromoaryl)cyclopropane-1,1-dicarboxylates with primary nitro alkanes

The first successful synthesis of 1H-2,3-benzoxazine 3-oxides has been described. The efficiency of the approach is provided by the C-C-coupling of 2-(2-bromoaryl)cyclopropane-1,1-dicarboxylates with primary nitroalkanes catalyzed by Pd(dba)2/JohnPhos system followed by in situ recyclization of the intermediates. Several representative transformations allowing selective modification of the nitronate as well as malonate functionalities in the resulting compounds are demonstrated.

AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR

The present invention provides a compound represented by the following formula (I): [wherein, A represents a group of the following formula (A-1): etc., R1 and R2 each independently represent a hydrogen atom etc., Z represents CR3 etc., W represents CR4 etc., Q represents CR5 etc., R3, R4 and R5 each independently represent a hydrogen atom etc., Y represents an oxygen atom or sulfur atom, X represents an oxygen atom etc. and B represents an optionally substituted aryl group or optionally substituted heteroaryl group], the prodrug thereof or the pharmaceutically acceptable salt thereof for preventing or treating various diseases such as hypertesion, cerebral stroke, cardiac failure, etc.