777-37-7 | 2-Chloro-5-nitrobenzotrifluoride

CAS:777-37-7 | 2-Chloro-5-nitrobenzotrifluoride,Description

2-Chloro-5-nitrobenzotrifluoride is a chemical compound that is not directly mentioned in the provided papers. However, related compounds with similar functional groups and structures have been studied extensively. These compounds are often used as intermediates in the synthesis of fine chemicals and pharmaceuticals due to their reactive nitro and halogen groups.

Synthesis Analysis

The synthesis of related compounds, such as 5-fluoro-2-nitrobenzotrifluoride, has been achieved using a continuous-flow millireactor system, which offers better control over impurities and higher process efficiency compared to traditional batch reactors. The synthesis of molecular salts of 2-Chloro-4-nitrobenzoic acid, which shares a similar structure to 2-Chloro-5-nitrobenzotrifluoride, has been performed using a crystal engineering approach. These methods highlight the importance of controlled reaction conditions and the potential for efficient synthesis of related compounds.

Molecular Structure Analysis

The molecular structure of related compounds has been analyzed using various spectroscopic and X-ray diffraction techniques. For instance, the crystal structures of molecular salts of 2-Chloro-4-nitrobenzoic acid were determined by single-crystal X-ray diffraction. Similarly, the molecular structure of 2-(4-chlorophenyl)-2-oxoethyl 3-nitrobenzoate was confirmed by IR and single-crystal X-ray diffraction studies. These analyses are crucial for understanding the geometry and electronic structure of such compounds.

Chemical Reactions Analysis

The reactivity of these compounds is significant in the synthesis of various heterocyclic scaffolds. For example, 4-Chloro-2-fluoro-5-nitrobenzoic acid has been used as a multireactive building block for the preparation of substituted nitrogenous heterocycles. The presence of nitro and halogen groups in these compounds facilitates a range of chemical transformations, which are essential for the development of new pharmaceuticals and materials.

Physical and Chemical Properties Analysis

The physical and chemical properties of these compounds, such as solubility, thermal behavior, and magnetic properties, have been studied. The solubilities of 5-chloro-2-nitrobenzoates of rare earth elements were determined, and their thermal decomposition was analyzed. The magnetic, spectrochemical, and thermal properties of 2-chloro-5-nitrobenzoates of Co(II), Ni(II), and Cu(II) were also investigated, providing insights into their stability and reactivity. These properties are essential for the practical application and handling of these compounds in various industrial processes.

Scientific Research Applications

Continuous-Flow Synthesis

2-Chloro-5-nitrobenzotrifluoride has been synthesized in a continuous-flow millireactor system. This method offers enhanced mass and heat transfer rates, leading to better control over impurities and higher process efficiency compared to traditional batch reactors. It showcases the potential for commercial manufacturing of fine chemicals and pharmaceutical intermediates involving nitration processes (Chen et al., 2020).

Physicochemical Properties of Metal Complexes

The physicochemical properties of 2-Chloro-5-nitrobenzoates, particularly when combined with metals like Co(II), Ni(II), and Cu(II), have been explored. These complexes are known for their distinct colors depending on the metal and have been studied for their magnetic, spectrochemical, and thermal properties. Their thermal stability is noteworthy but requires careful handling due to explosive decomposition above certain temperatures (Ferenc et al., 2006).

Spectroscopic and Docking Studies

Spectroscopic studies, including vibrational and electronic properties assessments, have been conducted on 2-Chloro-5-nitrobenzophenone derivatives. These studies delve into the structure, charge distribution, and chemical reactivity of the molecule, offering insights into its stability and potential applications in various fields like material science and pharmacology (Arulaabaranam et al., 2022).

Cytotoxic Properties and Crystal Structures

Certain derivatives, like the (5-Chloro-2-nitrobenzoato)bis(3-methyl-2-pyridylamine)silver(I) complex, have been characterized for their crystal structure and cytotoxic properties. These studies provide a foundation for understanding the interactions of such compounds with biological systems and their potential therapeutic applications (Wang & Shi, 2011).

Safety And Hazards

2-Chloro-5-nitrobenzotrifluoride is toxic in contact with skin and harmful if inhaled. It causes skin irritation and serious eye irritation. It is considered hazardous by the 2012 OSHA Hazard Communication Standard (29 CFR 1910.1200) and its target organs include the respiratory system.

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