949014-42-0

Basic information

• Product Name: Benzoic acid, 5-broMo-2-fluoro-4-Methoxy-
• Synonyms: Benzoic acid, 5-broMo-2-fluoro-4-Methoxy-;5-BroMo-2-fluoro-4-Methoxy-benzoic acid
• CAS NO: 949014-42-0
• Molecular Formula: C₈H₆BrFO₃
• Molecular Weight: 249.0338432
• Mol File: 949014-42-0.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Benzoic acid, 5-broMo-2-fluoro-4-Methoxy-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 5-broMo-2-fluoro-4-Methoxy-(949014-42-0)
• EPA Substance Registry System: Benzoic acid, 5-broMo-2-fluoro-4-Methoxy-(949014-42-0)

Safety Data

• Hazardous Substances Data: 949014-42-0(Hazardous Substances Data)

Usage

General Description

Benzoic acid, 5-bromo-2-fluoro-4-methoxy- is a compound with the molecular formula C8H6BrFO3. It is derived from benzoic acid and contains a bromine atom, a fluorine atom, and a methoxy group attached to the benzene ring. This chemical is commonly used as a building block in the synthesis of pharmaceuticals and agrochemicals. It has also been studied for its potential biological activities, including its antimicrobial and anticancer properties. Additionally, 5-bromo-2-fluoro-4-methoxy-benzoic acid may have applications as an intermediate in organic synthesis and as a precursor for the preparation of complex organic molecules.

Upstream product

• 394-42-3 2-fluoro-4-methoxy-benzoic acid 

Relevant articles and documents

Structure-Activity Relationship of Phenylpyrazolones against Trypanosoma cruzi

Chagas disease is a neglected parasitic disease caused by the parasitic protozoan Trypanosoma cruzi and currently affects around 8 million people. Previously, 2-isopropyl-5-(4-methoxy-3-(pyridin-3-yl)phenyl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one (NPD-0227) was discovered to be a sub-micromolar inhibitor (pIC50=6.4) of T. cruzi. So far, SAR investigations of this scaffold have focused on the alkoxy substituent, the pyrazolone nitrogen substituent and the aromatic substituent of the core phenylpyrazolone. In this study, modifications of the phenyldihydropyrazolone scaffold are described. Variations were introduced by installing different substituents on the phenyl core, modifying the geminal dimethyl and installing various bio-isosteres of the dihydropyrazolone group. The anti T. cruzi activity of NPD-0227 could not be surpassed as the most potent compounds show pIC50 values of around 6.3. However, valuable additional SAR data for this interesting scaffold was obtained, and the data suggest that a scaffold hop is feasible as the pyrazolone moiety can be replaced by a oxazole or oxadiazole with minimal loss of activity.