622847-32-9

Basic information

• Product Name: 2-bromomethyl-4-methyl-benzoic acid methyl ester
• Synonyms: 2-bromomethyl-4-methyl-benzoic acid methyl ester;Methyl 2-(bromomethyl)-4-methylbenzoate
• CAS NO: 622847-32-9
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.09714
• Mol File: 622847-32-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 311.8±30.0 °C(Predicted)
• Appearance: /
• Density: 1.404±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2-bromomethyl-4-methyl-benzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-bromomethyl-4-methyl-benzoic acid methyl ester(622847-32-9)
• EPA Substance Registry System: 2-bromomethyl-4-methyl-benzoic acid methyl ester(622847-32-9)

Safety Data

• Hazardous Substances Data: 622847-32-9(Hazardous Substances Data)

Usage

General Description

2-bromomethyl-4-methyl-benzoic acid methyl ester is a chemical compound with the molecular formula C10H11BrO2. It is a derivative of benzoic acid and is commonly used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. 2-bromomethyl-4-methyl-benzoic acid methyl ester is a white solid with a molecular weight of 253.10 g/mol, and it is soluble in organic solvents such as methanol and ethanol. Due to its bromomethyl and methyl groups, it has the potential to undergo various chemical reactions and can be utilized in the production of different organic compounds. However, it should be handled with care as it is a potentially hazardous and irritating substance.

Upstream product

• 67-56-1 methanol 
• 861555-51-3 2-bromomethyl-4-methyl-benzoyl bromide 
• 21900-42-5 2,4-dimethylbenzoyl chloride 
• 23617-71-2 2,4-dimethyl-benzoic acid methyl ester 
• 611-01-8 2,4-dimethyl-benzoic acid 
• 108-38-3 m-xylene 
• 89-74-7 2,4-dimethylacetophenone. 

Downstream Products

• 1574531-84-2 2-[(bis-pyridin-2-ylmethylamino)methyl]-4-methylbenzoic acid 
• 1574531-81-9 2-[(bis-pyridin-2-ylmethylamino)methyl]-4-methylbenzoic acid methyl ester 
• 1416990-03-8 3-(5-methyl-1-oxoisoindolin-2-yl)piperidine-2,6-dione 

Relevant articles and documents

Series of structural and functional models for the ES (enzyme-substrate) complex of the Co(II)-containing quercetin 2,3-dioxygenase

A series of mononuclear CoII-flavonolate complexes [Co IILR(fla)] (LRH = 2-{[bis(pyridin-2-ylmethyl) amino]methyl}-p/m-R-benzoic acid; R = p-OMe (1), p-Me (2), m-Br (4), and m-NO2 (5); fla = flavonolate) were designed and synthesized as structural and functional models for the ES (enzyme-substrate) complexes to mimic the active site of the Co(II)-containing quercetin 2,3-dioxygenase (Co-2,3-QD). The metal center Co(II) ion in each complex shows a similar distorted octahedral geometry. The model complexes display high enzyme-type dioxygenation reactivity (oxidative O-heterocyclic ring opening of the coordinated substrate flavonolate) at low temperature, presumably due to the attached carboxylate group in the ligands. The reactivity exhibits a substituent group dependent order of -OMe (1) > -Me (2) > -H (3)14b > -Br (4) > -NO2 (5), and the Hammett plot is linear (ρ = -0.78). This can be explained as the electronic nature of the substituent group in the ligands may influence the conformation and redox potential of the bound flavonolate and finally bring different reactivity. The structures, properties, and reactivity of the model complexes show some dependence on the substituent group in the supporting model ligands, and there is some relationship among them. This study is the first example of a series of structural and functional ES models of Co-2,3-QD, with focus on the effects of the electronic nature of substituted groups and the carboxylate group of the ligands to the dioxygenation reactivity, that will provide important insights into the structure-property-reactivity relationship and the catalytic role of Co-2,3-QD.