87674-21-3 | Ethanone, 1-(3-fluoro-4-pyridinyl)- (9CI)

CAS:87674-21-3 | Ethanone, 1-(3-fluoro-4-pyridinyl)- (9CI),Description

Synthesis Analysis

The synthesis of 1-(3-Fluoropyridin-4-yl)ethanone involves the reaction of 3-fluoro-N-methoxy-N-methylpyridine-4-carboxamide with methyl magnesium bromide in THF. The reaction is stirred at room temperature for 2 hours.

Molecular Structure Analysis

The InChI code for 1-(3-Fluoropyridin-4-yl)ethanone is 1S/C7H6FNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3. This indicates that the compound has a pyridine ring with a fluorine atom at the 3rd position and an ethanone group attached to the 4th position.

Physical And Chemical Properties Analysis

1-(3-Fluoropyridin-4-yl)ethanone is a liquid at room temperature. It has a density of 1.2±0.1 g/cm3. The boiling point is 198.7±20.0 °C at 760 mmHg.

Scientific Research Applications

1. Synthesis and Spectroscopic Characterization

The compound 1-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)-2-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)ethanone, synthesized using a click chemistry approach with 2-azido-1-(4-(6-flurobenzo[d]isooxazol-3-yl)piperidin-1-yl)ethanone as the starting material, represents an example of innovative synthesis methods. This compound was characterized using various spectroscopic techniques like IR, NMR, MS, and analyzed for thermal stability through TGA and DSC techniques. The Hirshfeld surfaces computational method was used for analyzing intercontacts in the crystal structure. This synthesis approach is significant in the field of organic chemistry and pharmaceuticals for creating novel compounds with potential biological applications (Govindhan et al., 2017).

2. Antimicrobial Activity

Compounds like 3-(1-Aryl-1H-1,2,3-triazol-4-yl)-2-(4-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)propan-1-ones, synthesized from 2-(4-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone, have demonstrated significant antimicrobial activity. This emphasizes the role of such fluorinated compounds in developing new antimicrobial agents, which is crucial in addressing the increasing issue of antibiotic resistance (Nagamani et al., 2018).

3. Photochemistry and Fluorescence Studies

The photochemistry of compounds like 1-(4-fluorophenyl)-2-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone highlights the application of such compounds in studying photoreactivity and fluorescence properties. Such studies are fundamental in understanding molecular interactions and could have implications in the development of photoactive materials and sensors (Fu et al., 1998).

4. Molecular Docking Studies and Potential Antineoplastic Activity

Molecular docking studies of compounds like 1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone have revealed potential inhibitory activity against certain proteins, suggesting possible applications as anti-neoplastic agents. These studies provide insights into the interaction of new molecules with carrier proteins, essential for advancing cancer treatment research (Mary et al., 2015).

5. Synthesis of Environmentally Sensitive Fluorophores

Compounds like 1-(pyren-1-yl)ethanone/1-(9H-fluoren-2-yl)ethanone have been utilized in the synthesis of environmentally sensitive fluorophores, showing potential applications in materials science. The strong fluorescence emission properties of these compounds indicate their suitability in various applications, including bio-imaging and the development of novel optical materials (Hussein et al., 2019).

Safety And Hazards

The compound is labeled with the GHS07 pictogram, indicating that it can cause skin irritation, serious eye irritation, and may cause respiratory irritation. Precautionary measures include avoiding breathing dust/fume/gas/mist/vapors/spray and washing thoroughly after handling.

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