104197-13-9 | 4-BROMO-2,6-DIFLUOROPHENOL

CAS:104197-13-9 | 4-BROMO-2,6-DIFLUOROPHENOL,Description

Synthesis Analysis

The synthesis of related compounds provides insights into potential methods for synthesizing 4-Bromo-2,6-difluorophenol. One study discusses the synthesis of Schiff base compounds, which are characterized using techniques such as X-ray single crystal diffraction and spectroscopic methods, indicating a structured approach to synthesizing complex molecules like 4-Bromo-2,6-difluorophenol (Kırca, Kaştaş, & Ersanli, 2021) . Another study explores the photocatalytic reactions involving similar bromo and difluoro compounds, suggesting a method that could potentially be applied to the synthesis of 4-Bromo-2,6-difluorophenol (Zeng, Li, Chen, & Zhou, 2022).

Molecular Structure Analysis

Research involving the molecular and electronic structures of compounds closely related to 4-Bromo-2,6-difluorophenol, such as Schiff base compounds, has been conducted using X-ray diffraction and density functional theory (DFT) calculations. These studies offer insights into the stability and geometry optimization of such compounds, which are relevant for understanding the molecular structure of 4-Bromo-2,6-difluorophenol (Kırca, Kaştaş, & Ersanli, 2021) .

Chemical Reactions and Properties

The chemical reactions and properties of 4-Bromo-2,6-difluorophenol can be inferred from studies on similar compounds. For instance, the reactions of bromo-difluoro compounds with water and other reagents have been studied, providing a basis for understanding the reactivity of 4-Bromo-2,6-difluorophenol (Tamborski & Soloski, 1967).

Physical Properties Analysis

While specific studies on the physical properties of 4-Bromo-2,6-difluorophenol are not directly mentioned, research on related compounds can provide insights. The physical properties such as melting points, boiling points, and density of similar brominated and fluorinated compounds have been characterized, which could be relevant for 4-Bromo-2,6-difluorophenol (Feng-ke, 2004) .

Chemical Properties Analysis

The chemical properties of 4-Bromo-2,6-difluorophenol, such as reactivity towards other compounds and stability, can be inferred from studies on bromo and difluoro compounds. For example, the reactivity of such compounds with carboxylic acids and the formation of ester derivatives highlight the chemical behavior that 4-Bromo-2,6-difluorophenol might exhibit (Ingalls, Minkler, Hoppel, & Nordlander, 1984).

Scientific Research Applications

• Spectrophotometric Detection in HPLC : It's used in preparing carboxylic acid 4'-bromophenacyl ester derivatives for spectrophotometric detection in high-performance liquid chromatography (Ingalls, Minkler, Hoppel, & Nordlander, 1984).
• Conversion of 1,3-Difluorobenzene : Utilized in the selective conversion of 1,3-difluorobenzene into various benzoic acids and bromobenzoic acids (Schlosser & Heiss, 2003).
• Preparation of 2,4-Dihalobenzoic Acids : Used in the selective preparation of 2,4-dihalobenzoic acids from silanes or 1,3-dihalo-2-iodobenzenes (Heiss, Marzi, & Schlosser, 2003).
• Aldose Reductase Inhibition : It's a potential aldose reductase inhibitor with antioxidant potential, potentially useful in diabetic complications (Alexiou & Demopoulos, 2010).
• Study of Stability and Reactions : Used in research for studying stability, benzyne formation, and reactions with water, trimethylchlorosilane, and mercuric chloride (Tamborski & Soloski, 1967).
• Reactivity Research : Useful in studying the reactivity and reactivity-reactivity relationship of 4-bromo-2,6-dialkylphenyl acetates and their corresponding phenols (Mare & Hannan, 1970).
• Drug Lipophilicity Increase : The 2,6-difluorophenol moiety can substitute for a carboxylic acid to increase the lipophilicity of drug candidates (Qiu, Stevenson, O'Beirne, & Silverman, 1999).
• Triplet Carbene Study : Triplet diphenylcarbenes protected by trifluoromethyl and bromine groups are studied for their survival in solution at room temperature (Itoh, Nakata, Hirai, & Tomioka, 2006).
• Formation of Infinite Chains : It links molecules to form infinite chains along the short-axis directions via N-HN or N-HO hydrogen bonds (Ferguson, Low, Penner, & Wardell, 1998).
• High-Temperature Oxidation Study : Involved in the high-temperature oxidation of a mixture of 2-chlorophenol and 2-bromophenol to produce dibenzo-p-dioxin, 4-bromo-6-chlorodibenzofuran, and various dibenzofurans (Evans & Dellinger, 2006).

Safety And Hazards

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• Pictograms : GHS07 (Warning)
   
• Hazard Statements : H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation)
   
• Precautionary Statements : P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P305 (IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.), P338 (IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.), P351 (Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.)
   

Future Directions

Researchers should explore the following aspects related to 4-Bromo-2,6-difluorophenol:

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• Biological Activity : Investigate potential applications in drug discovery or as a chemical probe.
   
• Synthetic Methods : Develop efficient and scalable synthetic routes.
   
• Mechanistic Studies : Understand its reactivity and behavior in various contexts.
   

Please note that the information provided here is based on available data, and further research in scientific literature is recommended for a more comprehensive understanding of this compound¹².

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