452-68-6 | 2-Fluoro-5-iodotoluene

CAS:452-68-6 | 2-Fluoro-5-iodotoluene,Description

2-Fluoro-5-iodotoluene is a chemical compound with the formula C7H6FI. It is also known as 1-fluoro-4-iodo-2-methylbenzene. It is typically used for research and development purposes.

Molecular Structure Analysis

The molecular structure of 2-Fluoro-5-iodotoluene consists of 7 carbon atoms, 6 hydrogen atoms, 1 fluorine atom, and 1 iodine atom. The molecular weight is 236.0254.

Physical And Chemical Properties Analysis

2-Fluoro-5-iodotoluene is a liquid at ambient temperature.

Scientific Research Applications

Spectroscopic Studies

2-Fluoro-5-iodotoluene has been studied for its electronic and vibrational spectra, contributing to the understanding of its thermodynamic functions. The infrared (IR) and Raman spectra of liquid 2-fluoro-5-iodotoluene, as well as its ultraviolet (UV) spectra in vapor form, have been reported. These studies aid in assigning fundamentals and calculating thermodynamic function values, which are important in understanding the molecular properties of this compound (Goel, 1984).

Synthesis of Biologically Active Compounds

Research has demonstrated the usefulness of 2-fluoro-5-iodotoluene in the synthesis of biologically active compounds. For instance, it has been used in the selective and direct introduction of fluorine atoms into β-dicarbonyl compounds. This process is important for creating α-fluoro-β-dicarbonyl compounds, which are significant building blocks in developing biologically active compounds (Hara et al., 1998) .

Catalytic Applications

2-Fluoro-5-iodotoluene has also been used in catalytic applications. It has been involved in the catalytic fluorination of 1,3-dicarbonyl compounds, where its use with aqueous hydrofluoric acid has shown efficiency. This process yields 2-fluoro-1,3-dicarbonyl compounds in good yields, showcasing its potential in catalytic synthesis (Kitamura et al., 2013).

Fluorination of Alkenes

Further research indicates that 2-fluoro-5-iodotoluene is significant in the fluorination of alkenes. This includes its role in unusual fluorination reactions, such as fluorinative ring contraction and fluorocyclization, in addition to simple vic-difluorination. These processes have been selectively carried out using iodotoluene difluoride and amine-HF complexes, demonstrating the compound's versatility in organic synthesis (Sawaguchi et al., 2000).

Photodissociation Dynamics

The photodissociation dynamics of 2-fluoro-5-iodotoluene have been investigated using femtosecond time-resolved mass spectrometry. This study has provided insights into the dissociation time and the behavior of co-fragments in the molecule, enhancing the understanding of its photophysical properties (Liu et al., 2016).

Safety And Hazards

2-Fluoro-5-iodotoluene can cause skin and eye irritation. It may also cause respiratory irritation. Therefore, it is recommended to use personal protective equipment, ensure adequate ventilation, and avoid breathing in mist, gas, or vapors when handling this compound.

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