127168-82-5

Basic information

• Product Name: 1-broMo-2,3-bis(broMoMethyl)benzene
• Synonyms: 1-broMo-2,3-bis(broMoMethyl)benzene;Benzene, 1-broMo-2,3-bis(broMoMethyl)-;2,3-BIS(BROMOMETHYL)BROMOBENZENE
• CAS NO: 127168-82-5
• Molecular Formula: C₈H₇Br₃
• Molecular Weight: 342.85318
• Mol File: 127168-82-5.mol
• Article Data: 24

Chemical Properties

• Appearance: /
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 1-broMo-2,3-bis(broMoMethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-broMo-2,3-bis(broMoMethyl)benzene(127168-82-5)
• EPA Substance Registry System: 1-broMo-2,3-bis(broMoMethyl)benzene(127168-82-5)

Safety Data

• Hazardous Substances Data: 127168-82-5(Hazardous Substances Data)

Usage

General Description

1-Bromo-2,3-bis(bromomethyl)benzene is a synthetic, organic compound that falls under the category of bromobenzenes. Being an off-white crystalline or chunky solid, it's one of the several bromine derivatives of benzene. The chemical formula for this compound is C9H8Br3 and has a structure that features a benzene ring substituted by one bromo group and two bromomethyl groups. It's distinguished by its high reactivity and is typically used in chemical synthesis. Due to its bromine content, it's highly effective as a reactant for introducing bromine into other chemicals, making it a useful tool in the creation of other chemical compounds. However, caution is required when handling 1-bromo-2,3-bis(bromomethyl)benzene as it is harmful if swallowed, inhaled or comes in contact with skin. It can cause eye, skin, and respiratory tract irritation. Its uses generally are confined to the laboratory in a controlled environment.

Upstream product

• 576-23-8 2,3-dimethylbromobenzene 
• 31599-60-7 1-iodo-2,3-dimethylbenzene 

Downstream Products

• 157793-83-4 4'-bromo-4,7-dimethoxy-2,2'-spirobiindan-1-one 
• 417704-22-4 1,3-dihydro-4-isobenzo- furanol 
• 923590-92-5 2-benzyl-4-bromoisoindoline hydrochloride 
• 923590-81-2 4-vinylisoindoline 
• 923590-80-1 2-benzyl-4-vinylisoindoline 
• 1269195-05-2 1-benzyl 2-methyl (2S,4R)-4-((4-bromoisoindoline-2-carbonyl)oxy)pyrrolidine-1,2-dicarboxylate 
• 923590-95-8 4-bromo-2,3-dihydro-1H-isoindole hydrochloride 

Relevant articles and documents

Regiochemistry in the reductive opening of phthalan derivatives

The lithiation of phthalan derivatives 4, 9 and 12 with an excess of lithium in the presence of a catalytic amount of 4,4′-di-tert-butylbiphenyl (DTBB) in THF at -78 °C gives dianionic intermediates 5, 10 and 13, respectively, which by reaction with different electrophiles [H2O, t-BuCHO, Me2CO, (EtO)2CO] at the same temperature, followed by hydrolysis, leads to regioselective functionalised naphthalenes 7, and biphenyls 11 and 14. The reductive opening takes place with high or total regioselectivity and can be explained considering the electron density in the dianion or in the radical anion, which are formed previous to the carbon-oxygen bond excision. The lithiation of the dihydrofurophthalan derivative 18 with the same reaction mixture but at higher temperature (0 °C) leads to intermediates 19 and 20, resulting from a single and a double reductive cleavage, respectively, which after addition of H2O and benzaldehyde as electrophiles gives a mixture of compounds 21 and 22.

Structure Elucidation Using Gas Chromatography-Infrared Spectroscopy/Mass Spectrometry Supported by Quantum Chemical IR Spectrum Simulations

An improved strategy for compound identification incorporating gas chromatography hyphenated with Fourier transform infrared spectroscopy and mass spectroscopy (GC-FTIR/MS) is reported. (Over)reliance on MS may lead either to ambiguous identity or to incorrect identification of a compound. However, the MS result is useful to provide a cohort of possible compounds. The IR result for each tentative compound match was then simulated using molecular modeling, to provide functional group and isomer differentiation information, and then compared with the experimental FTIR result, offering identification based on both MS and IR. Several basis sets were evaluated for IR simulations; Def2-TZVPP was a suitable basis set and correlated well with experimental data. The approach was applied to industrial applications, confirming the isomers of 2,3-bis(thiosulfanyl)-but-2-enedinitrile, bromination products of 1-bromo-2,3-dimethylbenzene, and autoxidative degradation of phenyl-di-tert-butylphosphine.

THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF

The present invention relates to a class of thienodiazepine derivatives and an application thereof in the preparation of a drug for the treatment of diseases associated with bromodomain and extra-terminal (BET) Bromodomain inhibitors. Specifically, the present invention relates to compounds represented by formulas (I) and (II), as well as pharmaceutically acceptable salts thereof.

THERAPEUTIC COMPOUNDS

no abstract published