112299-62-4

Basic information

• Product Name: 1-Bromo-3-(bromomethyl)-2-methylBenzene
• Synonyms: 1-Bromo-3-(bromomethyl)-2-methylBenzene;1-Bromo-2-methyl-3-(bromomethyl)benzene;1-Bromo-3-(bromomethyl)-2-methylbenzene, alpha,3-Dibromo-o-xylene;3-Bromo-2-methylbenzyl bromide 97%;3-Bromo-2-methylbenzylbromide97%;3-Bromo-2-methylbenzyl bromide;Benzene, 1-bromo-3-(bromomethyl)-2-methyl-
• CAS NO: 112299-62-4
• Molecular Formula: C₈H₈Br₂
• Molecular Weight: 263.959
• Mol File: 112299-62-4.mol

Chemical Properties

• Melting Point: 31-32℃
• Boiling Point: 279℃
• Flash Point: 139℃
• Appearance: /
• Density: 1.743
• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.595
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-Bromo-3-(bromomethyl)-2-methylBenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Bromo-3-(bromomethyl)-2-methylBenzene(112299-62-4)
• EPA Substance Registry System: 1-Bromo-3-(bromomethyl)-2-methylBenzene(112299-62-4)

Safety Data

• Hazardous Substances Data: 112299-62-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-Bromo-3-(bromomethyl)-2-methylBenzene is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows it to participate in a wide range of chemical reactions, making it a valuable component in the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical industry, 1-Bromo-3-(bromomethyl)-2-methylBenzene is utilized as a building block for the production of various agrochemicals, such as pesticides and herbicides. Its reactivity and ability to form different chemical structures contribute to the creation of effective and targeted agrochemical products.
Used in Dyes Industry:
1-Bromo-3-(bromomethyl)-2-methylBenzene is employed as a key component in the synthesis of various dyes. Its aromatic structure and bromine atoms enable the formation of diverse colorants, which are used in various applications, including textiles, plastics, and printing inks.
Used in Polymer Industry:
In the polymer industry, 1-Bromo-3-(bromomethyl)-2-methylBenzene serves as a monomer or a reactant in the production of specialty polymers. Its ability to undergo various reactions allows for the creation of polymers with specific properties, such as flame retardancy, UV resistance, or improved mechanical strength.
Safety Measures:
Due to the potential toxicity of 1-Bromo-3-(bromomethyl)-2-methylBenzene, it is essential to follow proper handling and disposal procedures. Information regarding its physical properties, safety measures, and reactivity with other compounds can be obtained from suppliers or material safety data sheets.

InChI:InChI=1/C8H8Br2/c1-6-7(5-9)3-2-4-8(6)10/h2-4H,5H2,1H3

Upstream product

• 99548-54-6 methyl 3-bromo-2-methylbenzoate 
• 576-23-8 2,3-dimethylbromobenzene 
• 83647-40-9 3-bromo-2-methylbenzaldehyde 
• 69321-60-4 2,6-dibromotoluene 
• 76006-33-2 3-bromo-2-methylbenzoic acid 
• 103038-43-3 3-bromo-2-methyl-benzoic acid ethyl ester 
• 52780-15-1 3'-bromo-2'-methylbenzonitrile 
• 83647-43-2 3-bromo-2-methylbenzyl alcohol 

Relevant articles and documents

Addition of Fluorine and a Late-Stage Functionalization (LSF) of the Oral SERD AZD9833

Herein we describe our efforts using a late stage functionalization together with more traditional synthetic approaches to generate fluorinated analogues of the clinical candidate AZD9833. The effects of the addition of fluorine on the lipophilicity, permeability, and metabolism are discussed. Many of these changes were tolerated in terms of pharmacology and resulted in high quality molecules which reached advanced stages of profiling in the testing cascade.

Novel biphenyl derivative as well as preparation method and medical application thereof

The invention relates to the field of medicinal chemistry, and discloses biphenyl derivatives with PD-1/PD-L1 inhibitory activity as well as a preparation method and application of the biphenyl derivatives. The invention further discloses a composition containing the biphenyl derivative with the PD-1/PD-L1 inhibitory activity or the pharmaceutically acceptable salt of the biphenyl derivative and a pharmaceutically acceptable carrier of the biphenyl derivative, and application of the biphenyl derivative in preparation of a PD-1/PD-L1 inhibitor. The compound can be used for treating tumors.

SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME

The present invention includes substituted 1,1'-biphenyl compounds, analogues thereof, and compositions comprising the same. In one aspect, the compounds contemplated in the invention can be used to treat, ameliorate, or prevent hepatitis B virus (HBV) and/or hepatitis D virus (HDV) infections in a patient. In another aspect, the compounds contemplated in the invention can be used to treat, ameliorate, and/or prevent cancer in a patient.

Enantioselective Intermolecular C-H Amination Directed by a Chiral Cation

The enantioselective amination of C(sp3)-H bonds is a powerful synthetic transformation yet highly challenging to achieve in an intermolecular sense. We have developed a family of anionic variants of the best-in-class catalyst for Rh-catalyzed C-H amination, Rh2(esp)2, with which we have associated chiral cations derived from quaternized cinchona alkaloids. These ion-paired catalysts enable high levels of enantioselectivity to be achieved in the benzylic C-H amination of substrates bearing pendant hydroxyl groups. Additionally, the quinoline of the chiral cation appears to engage in axial ligation to the rhodium complex, providing improved yields of product versus Rh2(esp)2 and highlighting the dual role that the cation is playing. These results underline the potential of using chiral cations to control enantioselectivity in challenging transition-metal-catalyzed transformations.

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.

COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF

Disclosed are a class of coumarin-like cyclic compounds as MEK inhibitors and pharmaceutical compositions comprising the compounds, and the use of same in the preparation of a drug for treating MEK-related diseases. Particularly disclosed are compounds as shown in formula (I) and pharmaceutically acceptable salts thereof or tautomers thereof.

SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME

The present invention includes substituted 3,3'-bis(phenoxymethyl)-1,1'-biphenyl compounds, analogues thereof, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) and/or hepatitis D virus (HDV) infections in a patient.

SUBSTITUTED 2,3-DIHYDRO-1H-INDENE ANALOGS AND METHODS USING SAME

The present invention includes substituted 2,3-dihydro-1H-indene analogs, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) infections in a patient.

CHEMICAL COMPOUNDS

The specification relates to compounds of Formula (I): and pharmaceutically acceptable salts thereof. The specification also relates to processes and intermediates used for their preparation, pharmaceutical compositions containing them and their use in the treatment of cell proliferative disorders.

INDAZOLE DERIVATIVES THAT DOWN-REGULATE THE ESTROGEN RECEPTOR AND POSSESS ANTI-CANCER ACTIVITY

The specification relates to compounds of Formula (I) and pharmaceutically acceptable salts thereof. The specification also relates to processes and intermediates used for their preparation, pharmaceutical compositions containing them and their use in the treatment of cell proliferative disorders.