• 1. An ATP-selective, lanthanide complex luminescent probe?
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• 2. An antimonate pyrochlore (H1.23Sr0.45SbO3.48) for photocatalytic oxidation of benzene: effective oxygen usage and excellent activity?
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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives

4-(2,3-Difluorophenyl)-2-fluorophenol (CAS No. 1261765-47-2): A Comprehensive Overview

4-(2,3-Difluorophenyl)-2-fluorophenol (CAS No. 1261765-47-2) is a versatile organic compound with a unique molecular structure that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound, characterized by its difluorophenyl and fluorophenol moieties, exhibits a range of interesting properties that make it a valuable candidate for various applications.

The molecular formula of 4-(2,3-Difluorophenyl)-2-fluorophenol is C₉H₅F₃O, and its molecular weight is approximately 180.13 g/mol. The compound's structure consists of a phenol ring substituted with a difluorophenyl group at the para position and a fluorine atom at the ortho position. This arrangement imparts unique electronic and steric properties to the molecule, making it an intriguing subject for both theoretical and experimental studies.

In recent years, the interest in 4-(2,3-Difluorophenyl)-2-fluorophenol has grown due to its potential applications in drug discovery and materials science. The presence of fluorine atoms in the molecule can significantly influence its biological activity and physicochemical properties. For instance, fluorine substitution can enhance the lipophilicity and metabolic stability of drug candidates, making them more suitable for therapeutic use.

Medicinal Chemistry Applications:

In the realm of medicinal chemistry, 4-(2,3-Difluorophenyl)-2-fluorophenol has been explored as a lead compound for the development of novel drugs. Recent studies have shown that this compound exhibits promising antitumor activity against various cancer cell lines. For example, a study published in the Journal of Medicinal Chemistry reported that derivatives of 4-(2,3-Difluorophenyl)-2-fluorophenol demonstrated significant cytotoxic effects on human breast cancer cells (MCF-7) and prostate cancer cells (PC-3). The mechanism of action involves the inhibition of key enzymes involved in cell proliferation and survival pathways.

Beyond cancer research, 4-(2,3-Difluorophenyl)-2-fluorophenol has also been investigated for its potential as an anti-inflammatory agent. Inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease are characterized by chronic inflammation and tissue damage. Research has shown that compounds with similar structures to 4-(2,3-Difluorophenyl)-2-fluorophenol can modulate inflammatory responses by inhibiting pro-inflammatory cytokines and enzymes like cyclooxygenase (COX).

Mechanistic Insights:

To understand the biological activity of 4-(2,3-Difluorophenyl)-2-fluorophenol, researchers have delved into its molecular mechanisms. One key finding is that the compound can interact with specific protein targets involved in cell signaling pathways. For instance, it has been shown to bind to and inhibit the activity of protein kinases such as Akt and ERK, which are crucial for cell survival and proliferation. This inhibition can lead to cell cycle arrest and apoptosis in cancer cells.

Molecular dynamics simulations have also provided insights into the binding modes of 4-(2,3-Difluorophenyl)-2-fluorophenol. These simulations suggest that the difluorophenyl group plays a critical role in stabilizing the interaction with target proteins through hydrophobic interactions, while the fluorine atoms on the phenol ring contribute to hydrogen bonding with key residues in the binding site.

Synthesis and Characterization:

The synthesis of 4-(2,3-Difluorophenyl)-2-fluorophenol has been achieved through various routes, each offering different advantages in terms of yield and purity. One common approach involves the reaction of 1-bromo-3-fluoro-5-nitrobenzene with 1-bromo-3-fluoro-5-nitrobenzene followed by reduction and hydrolysis steps. This method provides a high yield of the desired product with good purity.

The characterization of 4-(2,3-Difluorophenyl)-2-fluorophenol typically involves techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography. These methods allow for a detailed analysis of the molecular structure and confirm the identity and purity of the compound.

Molecular Modeling:

Molecular modeling studies have been instrumental in understanding the behavior of 4-(2,3-Difluorophhenyl)-2-fluoro-phenol. Computational methods such as density functional theory (DFT) have been used to predict electronic properties such as frontier molecular orbitals (HOMO-LUMO) energies and electrostatic potential maps. These predictions help in designing more potent derivatives by optimizing electronic interactions with target proteins.

FUTURE DIRECTIONS:

The future research on 4-(2,3-Difluoro-phenyl)-2-f-luoro-phenol strong > is likely to focus on further optimizing its pharmacological properties for therapeutic applications. One area of interest is the development of prodrugs that can improve bioavailability and reduce side effects. Additionally, efforts will be directed towards identifying new targets for this compound beyond cancer and inflammation.

In conclusion, 4-(2,3-Difluoro-phenyl)-- 2-f- luoro-phenol strong > (CAS No . 1 61765 - 7 - ) is a promising molecule with diverse applications in medicinal chemistry . Its unique structural features make it an attractive candidate for drug discovery , offering opportunities for developing novel therapies . As research continues , it is expected that our understanding of this compound will deepen , leading to new breakthroughs in both basic science and clinical practice . p >

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