849062-36-8

Basic information

• Product Name: 3-BROMO-5-METHYLPHENYLBORONIC ACID
• Synonyms: 3-BROMO-5-METHYLBENZENEBORONIC ACID;3-BROMO-5-METHYLPHENYLBORONIC ACID;AKOS BRN-0928;3-Bromo-5-methylbenzeneboronic acid 97%;Boronic acid,B-(3-broMo-5-Methylphenyl)-;3-Bromo-5-methylbenzeneboronicacid97%
• CAS NO: 849062-36-8
• Molecular Formula: C₇H₈BBrO₂
• Molecular Weight: 214.85
• Product Categories: blocks;BoronicAcids;Aryl;Boronic Acids;Boronic Acids and Derivatives;Boronic Acids
• Mol File: 849062-36-8.mol

Chemical Properties

• Melting Point: 278-283 °C(lit.)
• Boiling Point: 351.805 °C at 760 mmHg
• Flash Point: 166.566 °C
• Appearance: /
• Density: 1.577 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.585
• Storage Temp.: Keep Cold
• PKA: 7.65±0.10(Predicted)
• CAS DataBase Reference: 3-BROMO-5-METHYLPHENYLBORONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-5-METHYLPHENYLBORONIC ACID(849062-36-8)
• EPA Substance Registry System: 3-BROMO-5-METHYLPHENYLBORONIC ACID(849062-36-8)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 22-24/25
• WGK Germany: 3
• Hazardous Substances Data: 849062-36-8(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
3-BROMO-5-METHYLPHENYLBORONIC ACID is used as a reagent for the formation of carbon-carbon and carbon-heteroatom bonds, playing a crucial role in the synthesis of complex organic molecules.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 3-BROMO-5-METHYLPHENYLBORONIC ACID is used as a building block in the production of various drugs, contributing to the development of new medicinal compounds.
Used in Agrochemical Production:
3-BROMO-5-METHYLPHENYLBORONIC ACID is utilized as a key intermediate in the synthesis of agrochemicals, aiding in the creation of effective pesticides and other agricultural products.
Used in Materials Science:
In the field of materials science, 3-BROMO-5-METHYLPHENYLBORONIC ACID is employed in the development of new materials with specific properties, such as those used in electronics, coatings, and composites.

InChI:InChI=1/C7H8BBrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3

Upstream product

• 121-43-7 Trimethyl borate 
• 1611-92-3 3,5-dibromotoluene 
• 5419-55-6 Triisopropyl borate 

Downstream Products

• 116632-38-3 1-bromo-3-iodo-5-methylbenzene 
• 74204-00-5 3-bromo-5-methylphenol 
• 29578-83-4 3-bromo-5-methoxytoluene 
• 52488-28-5 1-bromo-3-methyl-5-nitrobenzene 

Relevant articles and documents

Preparation process for 3-methyl-5-methoxybenzenesulfonyl chloride

The invention discloses a preparation process for 3-methyl-5-methoxybenzenesulfonyl chloride. The process comprises the following steps: 3,5-dibromotoluene is used as an initial raw material, the 3,5-dibromotoluene is subjected to a boronic acidification reaction, thus 3-methyl-5-bromophenylboronic acid is obtained, the 3-methyl-5-bromophenylboronic acid is subjected to an oxidation reaction, thus 3-methyl-5-bromophenol is obtained, the 3-methyl-5-bromophenol is subjected to a substitution reaction, thus 3-methyl-5-bromoanisoles is obtained, the 3-methyl-5-bromoanisoles is subjected to sulfonation, thus 3-methyl-5-methoxybenzenesulfonate is obtained, the 3-methyl-5-methoxybenzenesulfonate is subjected to a substitution reaction, and therefore the objective compound 3-methyl-5-methoxybenzenesulfonyl chloride is obtained. According to the above route, the raw materials are easy to obtain, post-treatment is simple, convenient and easy to implement, a yield is relatively high, and the process has relatively-good application value.

Synthesis and spectroscopic characterization of group 4 post-metallocenes bearing (σ-aryl)-2-phenolate-6-pyridyl and -isoquinolinyl auxiliaries

A new series of group 4 bis(benzyl) complexes supported by (σ-aryl)-2-phenolate-6-pyridyl [O,C,N] ligands have been prepared, and all derivatives have been characterized by multinuclear NMR spectroscopy. In the 1H NMR spectrum of the Ti derivative where [N] = (ortho-F)-substituted isoquinolinyl, one of the two CH2 resonances is observed as a doublet of doublets (collapsing to a normal d upon 19F-decoupling), whereas the [1H,19F]-HMQC correlation spectrum reveals a strong crosspeak for this dd resonance only, thus indicating the presence of intramolecular C-H·F-C interactions. [1H,19F]-HMBC experiments have been performed which reveal a significant scalar component for this coupling and confirm that the interactions are genuine. The contrasting NMR spectral patterns for the (ortho-F)-pyridyl Hf analogue, which exhibits two sets of non-identical doublet of doublets for the methylene resonances, have been rationalized. The activities of the isoquinolinyl-based Ti-[O,C,N] catalysts for ethylene polymerization are superior to those of pyridyl-based congeners.