21900-48-1

Basic information

• Product Name: 3-BROMO-2-METHYL BENZOYL CHLORIDE
• Synonyms: 2-Bromo-6-(chlorocarbonyl)toluene, 2-Bromo-6-(chloroformyl)toluene;3-Bromo-2-methylbenzoylchloride98%
• CAS NO: 21900-48-1
• Molecular Formula: C₈H₆BrClO
• Molecular Weight: 233.5
• Mol File: 21900-48-1.mol
• Article Data: 26

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-BROMO-2-METHYL BENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-2-METHYL BENZOYL CHLORIDE(21900-48-1)
• EPA Substance Registry System: 3-BROMO-2-METHYL BENZOYL CHLORIDE(21900-48-1)

Safety Data

• Hazardous Substances Data: 21900-48-1(Hazardous Substances Data)

Usage

General Description

3-Bromo-2-methyl benzoyl chloride is a chemical compound with the molecular formula C8H6BrClO. It is a benzoyl chloride derivative, with a bromine atom and a methyl group attached to the benzene ring. 3-BROMO-2-METHYL BENZOYL CHLORIDE is primarily used as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. It is a versatile reagent in organic chemistry, commonly used in the preparation of amides, esters, and carboxylic acids. Due to its reactive nature, it should be handled with caution and used in a well-ventilated area or under fume hood to avoid contact with skin or inhalation.

Upstream product

• 76006-33-2 3-bromo-2-methylbenzoic acid 
• 99-99-0 1-methyl-4-nitrobenzene 
• 69321-60-4 2,6-dibromotoluene 
• 101581-06-0 1,3-dibromo-2-methyl-5-nitrobenzene 
• 1177558-44-9 (3,5-dibromo-4-methylphenyl)amine hydrochloride 

Downstream Products

• 99548-54-6 methyl 3-bromo-2-methylbenzoate 
• 337536-14-8 methyl 3-bromo-2-(bromomethyl)benzoate 
• 765948-99-0 4-bromo-7-nitroisoindolin-1-one 
• 765948-62-7 4-(4-aminophenyl)-1-isoindolinone 
• 765948-81-0 4-(4-amino-2-methylphenyl)-1-isoindolinone 
• 765948-78-5 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one 
• 765948-82-1 4-(4-amino-3-methyl-phenyl)-2,3-dihydro-isoindol-1-one 
• 765948-86-5 4-(4-amino-3-chlorophenyl)-1-isoindolinone 
• 765948-80-9 4-(4-amino-3-fluorophenyl)-1-isoindolinone 
• 765948-85-4 4-(4-amino-2-chlorophenyl)-1-isoindolinone 
• 765948-79-6 4-(4-amino-2-fluorophenyl)-1-isoindolinone 
• 765948-87-6 4-(4-amino-3-ethylphenyl)-1-isoindolinone 
• 765948-88-7 4-(4-amino-3,5-dimethyl-phenyl)-2,3-dihydro-isoindol-1-one 
• 765948-83-2 4-[4-amino-2-(trifluoromethyl)phenyl]-2,3-dihydro-isoindol-1-one 

Relevant articles and documents

Lead derivatization of ethyl 6-bromo-2-((dimethylamino)methyl)-5-hydroxy-1-phenyl-1H-indole-3-carboxylate and 5-bromo-2-(thiophene-2-carboxamido) benzoic acid as FabG inhibitors targeting ESKAPE pathogens

Our previous studies on FabG have identified two compounds 5-bromo-2-(thiophene-2-carboxamido) benzoic acid (A) and ethyl 6-bromo-2-((dimethylamino)methyl)-5-hydroxy-1-phenyl-1H-indole-3-carboxylate(B) as best hits with allosteric mode of inhibition. FabG is an integral part of bacterial fatty acid biosynthetic system FAS II shown to be an essential gene in most ESKAPE Pathogens. The current work is focussed on lead expansion of these two hit molecules which ended up with forty-three analogues (twenty-nine analogues from lead compound A and fourteen compounds from lead compound B). The enzyme inhibition studies revealed that compound 15 (effective against EcFabG, AbFabG, StFabG, MtFabG1) and 19 (inhibiting EcFabG and StFabG) had potency of broad-spectrum inhibition on FabG panel.

Improved synthesis of sterically encumbered heteroaromatic biaryls from aromatic β-keto esters

A protocol for the synthesis of hindered 4-aryl 2-aminopyrimidines from β–keto esters is described. The process employs trifluoroethanol as an essential additive to promote the guanidine condensation reaction, enabling the synthesis of 25 aryl- and heteroaryl substituted aminopyrimidines in good yields and high purities with no column chromatography. The conditions described herein are readily scalable and have been employed in the large-scale synthesis of the clinical A2a/A2bR antagonist AB928.

Development of a Scalable and Practical Synthesis of AB928, a Dual A2a/A2bReceptor Antagonist

AB928 is a potent and selective dual antagonist of the A2a and A2b receptors, which is currently in clinical trials. Here, we report the development of two scalable and practical syntheses of AB928. The first-generation synthesis was used to successfully