99548-53-5

Basic information

• Product Name: 3-broMo-4-ethylbenzoic acid
• Synonyms: 3-broMo-4-ethylbenzoic acid
• CAS NO: 99548-53-5
• Molecular Formula: C₉H₉BrO₂
• Molecular Weight: 229.07056
• Mol File: 99548-53-5.mol
• Article Data: 10

Chemical Properties

• Melting Point: 165℃ (ethanol )
• Boiling Point: 323.5±35.0 °C(Predicted)
• Appearance: /
• Density: 1.517±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.96±0.10(Predicted)
• CAS DataBase Reference: 3-broMo-4-ethylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-broMo-4-ethylbenzoic acid(99548-53-5)
• EPA Substance Registry System: 3-broMo-4-ethylbenzoic acid(99548-53-5)

Safety Data

• Hazardous Substances Data: 99548-53-5(Hazardous Substances Data)

Usage

Description

3-Bromo-4-ethylbenzoic acid is an organic compound characterized by the presence of a bromine atom at the 3-position and an ethyl group at the 4-position on a benzoic acid backbone. It is a white crystalline solid that serves as a key intermediate in the synthesis of various pharmaceutical compounds.

Uses

Used in Pharmaceutical Industry:
3-Bromo-4-ethylbenzoic acid is used as a key intermediate in the synthesis of benzocarbacephem and benzocarbapenem derivatives. These derivatives act as inactivators of β-lactamases, which are enzymes produced by bacteria that confer resistance to β-lactam antibiotics. By incorporating 3-bromo-4-ethylbenzoic acid into the structure of these derivatives, it helps to overcome bacterial resistance and enhance the effectiveness of antibiotics in treating infections caused by β-lactamase-producing bacteria.

InChI:InChI=1/C9H9BrO2/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2H2,1H3,(H,11,12)

Upstream product

• 619-64-7 p-ethylbenzoic acid 
• 10541-83-0 N-methyl-p-aminobenzoic acid 

Downstream Products

• 113642-05-0 methyl m-bromo-p-ethylbenzoate 
• 113642-07-2 2-bromo-4-carboxyacetophenone 
• 113642-06-1 methyl p-acetyl-m-bromobenzoate 
• 113642-08-3 2'-bromo-4'-tert-butylcarboxylacetophenone 
• 113641-97-7 3-Bromo-4-(1-trimethylsilanyloxy-vinyl)-benzoic acid methyl ester 
• 113642-09-4 benzyl p-acetyl-m-bromobenzoate 
• 113641-99-9 o-bromo-p-(t-butoxycarbonyl)acetophenone trimethylsilyl enol ether 
• 113642-12-9 t-butyl m-bromo-p-<1-hydroxy-2-(4-oxoazetidin-2-yl)ethyl>benzoate 
• 86951-27-1 methyl m-bromo-p-<(4-oxoazetidin-2-yl)acetyl>benzoate 
• 113642-11-8 methyl m-bromo-p-<1-hydroxy-2-(4-oxoazetidin-2-yl)ethyl>benzoate 
• 113642-00-5 t-butyl m-bromo-p-<(4-oxoazetidin-2-yl)acetyl>benzoate 
• 113642-01-6 3-Bromo-4-(1-trimethylsilanyloxy-vinyl)-benzoic acid benzyl ester 
• 113642-15-2 t-butyl p-<1-acetoxy-2-(4-oxoazetidin-2-yl)ethyl>-m-bromo-benzoate 
• 113642-02-7 benzyl m-bromo-p-<(4-oxoazetidin-2-yl)acetyl>benzoate 

Relevant articles and documents

Industrialized synthetic method for halogen benzoic acid derivative

The invention discloses an industrialized synthetic method for a halogen benzoic acid derivative. The formula (I) of the halogen benzoic acid derivative is shown in the description, wherein a plurality of Rs are alkyls of C1-C20, and a plurality of Xs are halogens; the industrialized synthetic method comprises the following steps that alkyl substituted benzoic acid and water are added into a reaction container, halogen simple substances are added, a heating reaction is performed, the reaction is complete, and post processing is performed to obtain the target product halogen benzoic acid derivative. According to the industrialized synthetic method for the halogen benzoic acid derivative, no solvent needs to be recycled, little consumption is consumed, little waste gas, water and industrialresidues are caused, and by-product haloid acid can be directly sold or used for producing other products; accordingly, the industrialized synthetic method for the halogen benzoic acid derivative is safe, environmentally friendly and low in cost, and therefore the wide industrial application prospect is achieved.

Discovery and optimization of potent broad-spectrum arenavirus inhibitors derived from benzimidazole and related heterocycles

A series of potent arenavirus inhibitors sharing a benzimidazole core were previously reported by our group. SAR studies were expanded beyond the previous analysis, which involved the attached phenyl rings and methylamino linker portion, to include modifications focused on the benzimidazole core. These changes included the introduction of various substituents to the bicyclic benzimidazole ring system along with alternate core heterocycles. Many of the analogs containing alternate nitrogen-based bicyclic ring systems were found to retain antiviral potency compared to the benzimidazole series from which we derived our lead compound, ST-193. In fact, 21h, built on an imidazopyridine core, possessed a near tenfold increase in potency against Lassa virus pseudotypes compared to ST-193. As found with the benzimidazole series, broad-spectrum arenavirus activity was also observed for a number of the analogs discovered during this study.