75279-53-7 | 4-Chloro-2-fluorophenylacetonitrile

CAS:75279-53-7 | 4-Chloro-2-fluorophenylacetonitrile,Description

Synthesis Analysis

The synthesis of related fluorinated compounds often follows green protocols and involves the use of acetonitrile as a solvent or reactant. For instance, the synthesis of 2-(4-fluorophenyl)-2-(4-fluorophenylamino)acetonitrile was characterized by detailed spectral and X-ray crystallographic analyses. Similarly, the synthesis of 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile involved a novel protocol using Vilsmeier–Haack chlorination. These methods could potentially be adapted for the synthesis of 4-Chloro-2-fluorophenylacetonitrile.

Molecular Structure Analysis

X-ray crystallography is a common technique used to determine the molecular structure of fluorinated compounds. For example, the crystal structure of 3-(2-Chloro-6-fluorophenyl)-2-(4-methoxyphenyl)-acrylonitrile was determined to confirm the olefinic bond geometry. Similarly, the structure of 2-(4-fluorophenyl)-2-(4-fluorophenylamino)acetonitrile was solved using single-crystal X-ray diffraction. These analyses provide a basis for understanding the molecular structure of 4-Chloro-2-fluorophenylacetonitrile.

Chemical Reactions Analysis

The reactivity of fluorinated nitriles can be quite diverse. For instance, an unexpected reactivity was reported for 2-fluoro-4-(trifluoromethyl)-phenylacetonitrile, where a trimeric impurity was isolated. Additionally, the synthesis and reactions of 2-chlorohexafluorocyclopentene- and 2-chlorooctafluorocyclohexene-1-carbonitriles with aniline and amidines led to the formation of pyrimidine derivatives. These studies suggest that 4-Chloro-2-fluorophenylacetonitrile may also undergo interesting and unexpected reactions.

Physical and Chemical Properties Analysis

The physical and chemical properties of fluorinated compounds are often influenced by the presence of the fluorine atom. For example, the chromatographic selectivity study of 4-fluorophenylacetic acid positional isomers highlighted the importance of controlling positional isomers due to their different reactivity and biological activity. The spectral properties of push-pull fluorophores based on imidazole-4,5-dicarbonitrile were examined in various solvents and polymer matrices, indicating how the environment can affect the properties of such compounds. These findings can be extrapolated to predict the behavior of 4-Chloro-2-fluorophenylacetonitrile in different contexts.

Scientific Research Applications

4-Chloro-2-fluorophenylacetonitrile is a chemical compound with the CAS Number: 75279-53-7. It’s a solid substance at room temperature with a molecular weight of 169.59.

One potential application of 4-Chloro-2-fluorophenylacetonitrile and similar compounds is in the design and synthesis of fluorescent probes . Fluorescent probes are sensitive, selective, non-toxic in detection and thus provided a new solution in biomedical, environmental monitoring, and food safety.

• Scientific Field : Biomedical Research, Environmental Monitoring, and Food Safety.
• Application Summary : Fluorescent probes are chemical substances that can detect biomolecules or molecular activities within cells through fluorescence signals. They have been widely used in various fields such as biomedical, environmental monitoring, and food safety.
• Methods of Application : The design of fluorescent probe requires a clear synthesis idea, including the determination of target molecules, the selection of fluorescent dyes and the introduction of target groups. The fluorescent dye is the core part of the fluorescent probes and requires the selection of a suitable fluorescent dye. To increase the affinity between the fluorescent probes and the target molecule, targeting groups need to be introduced onto the fluorescent dye.
• Results or Outcomes : The development of new fluorescent probes and the improvement of existing ones have become a research hotspot. They have unique optical properties and high sensitivity, providing new methods for material design and preparation.

• Proteomics Research

  • Scientific Field : Biochemistry and Molecular Biology.
  • Application Summary : 4-Chloro-2-fluorophenylacetonitrile can be used in proteomics research. Proteomics is the large-scale study of proteins, particularly their structures and functions.
  • Methods of Application : The compound could be used as a reagent or building block in the synthesis of larger molecules, possibly including proteins or peptides.
  • Results or Outcomes : The outcomes of such research could include new insights into protein structure and function, potentially leading to the development of new drugs or therapies.

• Synthesis of Fluorinated Compounds

  • Scientific Field : Organic Chemistry.
  • Application Summary : α-Trifluoromethylstyrene derivatives, which could potentially be synthesized from 4-Chloro-2-fluorophenylacetonitrile, are versatile synthetic intermediates for the preparation of more complex fluorinated compounds.
  • Methods of Application : These compounds have been successfully utilized in C–F bond activation in a CF3 group, mainly including anionic SN2’-type substitution, cationic SN1’-type substitution.
  • Results or Outcomes : The outcomes of such research could include the development of new synthetic methods and the production of novel fluorinated compounds, which have a wide range of applications in pharmaceuticals, agrochemicals, and materials science.

• Pharmaceutical Research

  • Scientific Field : Pharmaceutical Chemistry.
  • Application Summary : 4-Chloro-2-fluorophenylacetonitrile can be used in the synthesis of various pharmaceutical compounds. Many pharmaceuticals contain a nitrile group, which can be introduced using compounds like 4-Chloro-2-fluorophenylacetonitrile.
  • Methods of Application : The compound could be used as a reagent in various chemical reactions to introduce the nitrile group into a larger molecule.
  • Results or Outcomes : The outcomes of such research could include the development of new drugs or therapies.

• Material Science

  • Scientific Field : Material Science.
  • Application Summary : 4-Chloro-2-fluorophenylacetonitrile can be used in the synthesis of various materials. Many materials, especially polymers, contain a nitrile group, which can be introduced using compounds like 4-Chloro-2-fluorophenylacetonitrile.
  • Methods of Application : The compound could be used as a reagent in various chemical reactions to introduce the nitrile group into a larger molecule.
  • Results or Outcomes : The outcomes of such research could include the development of new materials with improved properties.

Safety And Hazards

The safety information for 4-Chloro-2-fluorophenylacetonitrile indicates that it is a dangerous compound. The compound has been assigned the signal word “Danger” and is associated with the GHS06 pictogram.

Relevant Papers The search results did not provide specific papers related to 4-Chloro-2-fluorophenylacetonitrile.

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