7399-67-9

Usage

Uses

Used in Pharmaceutical Industry:
2-(2-BROMOACETYL)BENZOIC ACID is used as a reagent for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key intermediate in the production of drugs, contributing to the development of new medications.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(2-BROMOACETYL)BENZOIC ACID serves as a reagent in the preparation of different agrochemicals. Its role in this industry is crucial for the synthesis of compounds that protect crops and enhance agricultural productivity.
Used in Dye and Pigment Manufacturing:
2-(2-BROMOACETYL)BENZOIC ACID is also utilized in the manufacturing of dyes and pigments. Its chemical properties make it suitable for creating a range of colorants used in various industries, including textiles, plastics, and printing inks.
Safety and Handling:
Given its classification as a hazardous substance, 2-(2-BROMOACETYL)BENZOIC ACID requires careful handling and storage. It should be kept in a cool, dry place, away from ignition sources and incompatible materials to prevent any potential hazards. Proper safety protocols must be followed during its use and disposal to ensure the safety of individuals and the environment.

InChI:InChI=1/C9H7BrO3/c10-5-8(11)6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,12,13)

Upstream product

• 577-56-0 2-acetyl-benzoic acid 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 
• 610-94-6 2-bromobenzoic acid methyl ester 
• 85-44-9 phthalic anhydride 
• 1077-79-8 methyl 2-acetylbenzoate 
• 477338-22-0 2-(1-Butoxy-vinyl)-benzoic acid methyl ester 

Downstream Products

• 65032-66-8 2-(2-methyl-thiazol-4-yl)-benzoic acid 
• 748121-40-6 2-(2-amino-thiazol-4-yl)-benzoic acid 
• 5693-27-6 isochroman-1,4-dione 
• 160322-93-0 2-[2-(3,4-Diethoxy-phenyl)-thiazol-4-yl]-benzoic acid methyl ester 
• 96276-73-2 3-[2-(3-ethyl-4,5-diphenyl-3H-oxazol-2-ylidene)-ethylidene]-isochroman-1,4-dione 
• 854395-16-7 5-oxo-6-phenyl-5,6-dihydro-dibenzo[b,h][1,5]naphthyridine-7-carboxylic acid 
• 65032-68-0 [2-(2-methyl-thiazol-4-yl)-phenyl]-methanol 
• 65032-67-9 [2-(2-phenyl-thiazol-4-yl)-phenyl]-methanol 
• 65032-71-5 1-methyl-2a-phenyl-2-oxa-3-thia-8c-aza-pentaleno[1,6-ab]indene 
• 65032-69-1 3-phenyl-5H-thiazolo<4,3-a>isoindolium bromide 
• 65254-44-6 5-acetyl-3-phenyl-5H-thiazolo[4,3-a]isoindolylium; bromide 
• 1421922-93-1 2-{2-[4-({(E)-[ethyl(methyl)amino]methylidene}amino)-2,5-dimethylbenzyl]-1,3-thiazol-4-yl}benzoic acid hydrobromide 

Relevant academic research and scientific papers

Nucleus-independent chemical shift (NICS) as a criterion for the design of new antifungal benzofuranones

The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-4-ones. A linear regression analysis of NICS and antifungal activity showed that both tested variables were significantly related (p –1 for Candida glabrata, Candida krusei and Candida guilliermondii with compounds 15-32, 15-15 and 15-1. The MIC for filamentous fungi was 1.95 μg·mL–1 for Aspergillus niger for compounds 15-1, 15-33 and 15-34. The results obtained support the use of NICS in the molecular design of compounds with antifungal activity.

Method for preparing isobenzofuran-1(3H)-one compounds

The invention provides a method for preparing isobenzofuran-1(3H)-one compounds. R1, R2 and p are defined in the specification.

Synthetic methods for the preparation of ARQ 501 (β-Lapachone) human blood metabolites

ARQ 501 (3,4-dihydro-2,2-dimethyl-2H-naphthol[1,2-b] pyran-5,6-dione), a synthetic version of β-Lapachone, is a promising anti-cancer agent currently in multiple Phase II clinical trials. Promising anti-cancer activity was observed in Phase I and Phase II trials. Metabolism by red blood cells of drugs is an understudied area of research and the metabolites arising from oxidative ring opening (M2 and M3), decarbonylation/ring contraction (M5), and decarbonylation/oxidation (M4 and M6) of ARQ 501 offer a unique opportunity to provide insight into these metabolic processes. Since these metabolites were not detected in in vitro incubations of ARQ 501 with liver microsomes and were structurally diverse, confirmation by chemical synthesis was considered essential. In this report, we disclose the synthetic routes employed and the characterization of the reference standards for these blood metabolites as well as additional postulated structures, which were not confirmed as metabolites.

Palladium-catalyzed synthesis of o-acetylbenzoic acids: A new, efficient general route to 2-hydroxy-3-phenyl-1,4-naphthoquinones and indolo[2,3-b]naphthalene-6,11-diones

We describe here a new, efficient general synthesis of o-acetylbenzoic acids by Heck palladium-catalyzed arylation of n-butyl vinyl ether with o-bromobenzoic acid esters and the use of these compounds as starting materials for the synthesis of 3-benzylideneisochroman-1,4-diones, which readily rearrange to 2-hydroxy-3-phenyl-1,4-naphthoquinones. The application of this strategy to the synthesis of indolo[2,3-b]naphthalene-6,11-diones is also described.

Novel thiazole derivatives as inhibitors of superoxide production by human neutrophils: Synthesis and structure-activity relationships

Neutrophils have an important role in the self-defense systems of organisms through the production of superoxide. On the other hand, it has been proposed that abnormal amounts of superoxide produced by neutrophils are a serious factor in tissue injury. A series of novel thiazole derivatives was prepared and evaluated inhibitory effect on superoxide production by human neutrophils in vitro. Among these compounds, 6-[2-(3,4- diethoxyphenyl)thiazol-4-yl]-pyridine-2-carboxylic acid (OPC-6535) was selected as one of the most promising compounds. The synthesis and structure- activity relationships of these compounds are reported herein.