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

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

Uses

Used in Pharmaceutical Synthesis:
2-bromo-1-(bromomethyl)-4-nitrobenzene is utilized as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the creation of new medicinal compounds with potential therapeutic applications.
Used in Agrochemical Production:
In the agrochemical industry, 2-bromo-1-(bromomethyl)-4-nitrobenzene is employed as a building block for the development of new pesticides and other agrochemicals, contributing to enhanced crop protection and yield.
Used in Dye Manufacturing:
2-bromo-1-(bromomethyl)-4-nitrobenzene is also used in the production of dyes, where its chemical properties contribute to the creation of a variety of colorants for different applications, including textiles and other industrial uses.
Used in Organic Material Production:
2-bromo-1-(bromomethyl)-4-nitrobenzene serves as a crucial component in the synthesis of organic materials, which have applications in various fields such as plastics, coatings, and adhesives.
Used in Research and Development:
In the realm of scientific research and development, 2-bromo-1-(bromomethyl)-4-nitrobenzene is an important compound for exploring new chemical reactions and discovering innovative applications in organic chemistry.
Overall, 2-bromo-1-(bromomethyl)-4-nitrobenzene is a versatile chemical with significant applications across multiple industries, including pharmaceuticals, agrochemicals, dyes, organic materials, and research and development, due to its unique structure and reactivity.

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

• 267243-37-8 2-bromo-4-nitro-N,N-dimethylbenzylamine 
• 5274-71-5 2-bromo-4-nitro-benzaldehyde 
• 1341231-16-0 2-(hex-1-ynyl)-4-nitrobenzaldehyde 
• 92905-45-8 2-Brom-4-di-(2-chlor-ethyl)-amino-dl-phenylalanin (2-Brom-sarkolysin) 
• 94867-67-1 (2-Brom-4-di-(2-hydroxy-ethyl)-amino-benzyl)-acetylamino-malonester 

Relevant articles and documents

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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.

ABELSON NON-TYROSINE KINASE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES

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Versatile synthesis of isoquinolines and isochromenes by Pd-catalyzed oxidative carbonylation of (2-alkynyl)benzylideneamine derivatives

Isoquinoline-4-carboxylic esters 3 and isochromene-4-carboxylic esters 4 have been conveniently prepared by direct PdI2-catalyzed oxidative heterocyclization/alkoxycarbonylation of readily available (2- alkynylbenzylidene)amine derivatives. In particular, (2-alkynylbenzylidene) (tert-butyl)amines 2 selectively afforded isoquinoline derivatives 3 by N-cyclization, whereas N-(2-alkynylbenzylidene)-N′-phenylhydrazines 5 led to the formation of isochromenes 4 through O-cyclization ensuing from water attack on the imino group of the substrate. Reactions were carried out in alcoholic solvents at 80-100 °C and under 20-80 atm (at 25 °C) of a 4:1 mixture of CO/air, in the presence of PdI2 (2-10 mol-%) in conjunction with KI (KI/PdI2 molar ratio = 10). In the case of imines 2, the use of a dehydration agent, such as trialkyl orthoformate, was necessary to obtain satisfactory yields of isoquinolines 3.

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.