739336-26-6 | 2-BROMO-5-FLUOROPHENYLACETIC ACID

CAS:739336-26-6 | 2-BROMO-5-FLUOROPHENYLACETIC ACID,Description

2-Bromo-5-fluorophenylacetic acid is an organic compound. It is of significant research interest due to its potential applications in various fields, including pharmaceuticals, agrochemicals, and materials chemistry.

Molecular Structure Analysis

The molecular formula of 2-Bromo-5-fluorophenylacetic acid is C8H6BrFO2. The InChI code is 1S/C8H6BrFO2/c9-7-2-1-6 (10)3-5 (7)4-8 (11)12/h1-3H,4H2, (H,11,12).

Physical And Chemical Properties Analysis

2-Bromo-5-fluorophenylacetic acid is a white to yellow solid. It has a molecular weight of 233.04. The compound is stored at room temperature.

Scientific Research Applications

Reactivity and Acidity Study

A comparative DFT study on halogenated phenylacetic acids, including 2-bromo-5-fluorophenylacetic acid, has been conducted to understand their reactivity, acidity, and vibrational spectra. This research, significant in the field of organic chemistry, shows the molecular descriptors of reactivity such as Fukui functions, local softness, and electrophilicity, along with the global descriptors like electronegativity and HOMO-LUMO gap. The study also compares the calculated vibrational spectra with experimental data, contributing to the understanding of structural and chemical properties of such compounds (Srivastava et al., 2015).

Synthesis of BACE1 Inhibitor

A method involving 2-bromo-5-fluorophenylacetic acid was developed for synthesizing a BACE1 inhibitor, aimed at treating Alzheimer's Disease. This process includes a Friedel-Crafts reaction and demonstrates the compound's relevance in the pharmaceutical industry, particularly in drug development for neurodegenerative diseases (Zhou et al., 2009).

Synthesis of Fluorescent Amino Acids

In the field of biochemistry, 2-bromo-5-fluorophenylacetic acid plays a role in the synthesis of fluorescent amino acids. These amino acids are used in studying protein structure, dynamics, and interactions, both in vitro and in vivo. The ability to biosynthetically incorporate such fluorophores into proteins at specific sites has significant implications for biochemical and cellular studies (Summerer et al., 2006).

Suzuki Cross Coupling Reaction

The compound is involved in the synthesis of derivatives via Suzuki cross-coupling reactions. This synthesis explores the electronic effects of different substituents on the overall properties of new products, highlighting its importance in organic chemistry and material science (Ikram et al., 2015).

Safety And Hazards

The compound is classified as a warning under the GHS07 pictogram. It has hazard statements H302 and H319, indicating that it is harmful if swallowed and causes serious eye irritation. Precautionary statements include P305, P338, and P351, which advise rinsing cautiously with water in case of eye contact.

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