71942-14-8

Basic information

• Product Name: 3-Bromo-4,5-dimethylphenol
• Synonyms: 3-Bromo-4,5-dimethylphenol
• CAS NO: 71942-14-8
• Molecular Formula: C₈H₉BrO
• Molecular Weight: 201.06046
• Mol File: 71942-14-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 103 °C
• Boiling Point: 271.9±35.0 °C(Predicted)
• Appearance: /
• Density: 1.471±0.06 g/cm3(Predicted)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 9.43±0.23(Predicted)
• CAS DataBase Reference: 3-Bromo-4,5-dimethylphenol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-4,5-dimethylphenol(71942-14-8)
• EPA Substance Registry System: 3-Bromo-4,5-dimethylphenol(71942-14-8)

Safety Data

• Hazardous Substances Data: 71942-14-8(Hazardous Substances Data)

Usage

General Description

3-Bromo-4,5-dimethylphenol, or more commonly known as Tribromol, is a chemical compound characterized by its aromatic and brominated molecules. This organic compound exhibits a structure derived from phenol due to its hydroxyl group (-OH) attached to an aromatic ring which is also composed of bromine and methyl groups. Its specific structure lends to its potential as a building block for synthesizing more complex structures hence its applications in the field of organic chemistry research. However, its precise impact on health and the environment remains largely unknown, calling for rigorous safety precautions in its handling and disposal. Nevertheless, it is recommended that users employ standard safety measures when interacting with this compound, such as wearing protective clothing and equipment, ensuring adequate ventilation, and avoiding skin or eye contact.

Upstream product

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• 942069-47-8 2-(3-bromo-4,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 95-65-8 3,4-Dimethylphenol 

Downstream Products

• 63113-36-0 2,5,6-tribromo-3,4-dimethylphenol 

Relevant articles and documents

KRAS G12C INHIBITORS

The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

Process for the synthesis of phenols from arenes

A process to synthesize substituted phenols such as those of the general formula RR′R″Ar(OH) wherein R, R′, and R″ are each independently hydrogen or any group which does not interfere in the process for synthesizing the substituted phenol including, but not limited to, halo, alkyl, alkoxy, carboxylic ester, amine, amide; and Ar is any variety of aryl or hetroaryl by means of oxidation of substituted arylboronic esters is described. In particular, a metal-catalyzed C—H activation/borylation reaction is described, which when followed by direct oxidation in a single or separate reaction vessel affords phenols without the need for any intermediate manipulations. More particularly, a process wherein Ir-catalyzed borylation of arenes using pinacolborane (HBPin) followed by oxidation of the intermediate arylboronic ester by OXONE is described.

ipso Halogenation. II. Bromination of phenols, isomerisation and disproportionation of bromophenols, and dione-phenol rearrangement of bromodienones

Bromination of p-cresol, bromo-p-cresol, 3,4-dimethylphenol, and mesitol in trifluoromethanesulfonic acid gices as the main product the bromo derivative with bromine meta to hydroxyl, a result attributed to the intermediate formation of a bromodienone and its rearrangement.Phenols does not give m-bromophenol in trifluoromethanesulfonic acid. 4-Bromo-2,4,6-trimethylcyclohexa-2,5-dienone rearranges to 3-bromomesitol in trifluoromethanesulfonic acid and, similarly, 2,4,6-tribromo-4-methylcyclohexa-2,5-dienone rearranges to 3-bromomesitol in trifluoromethanesulfonic acid and, similarly, 2,4,6-tribromo-4-methylcyclohexa-2,5-dienone rearranges to 2,3,6-tribromo-4-methylphenol.Under appropriate conditions debromination of bromodienones is competitive with rearrangement.Tetramethylammonium bromide in trifluoromethanesulfonic acid is an effective reagent for isomerization and disproportionation of bromophenols.Tetramethylammonium iodide in trifluoromethanesulfonic acid is an effective reagent for selective debromination of bromophenols at the ortho and para position.