392-83-6 | 2-Bromobenzotrifluoride

CAS:392-83-6 | 2-Bromobenzotrifluoride,Description

Synthesis Analysis

The synthesis of derivatives of 2-Bromobenzotrifluoride often involves the reaction of commercial 2-bromobenzoic acid with other chemical entities. For instance, 2-bromo-N-(2,4-difluorobenzyl)benzamide was synthesized with a high yield by reacting 2-bromobenzoic acid with (2,4-difluorophenyl)methanamine (Polo et al., 2019). Such methodologies highlight the versatile nature of 2-Bromobenzotrifluoride in organic synthesis.

Molecular Structure Analysis

The molecular structure of 2-Bromobenzotrifluoride derivatives can be elucidated using various analytical techniques, such as NMR, EI-MS, FT-IR, and X-ray diffraction analysis. The crystal structure of one derivative revealed a monoclinic system with specific dimensions, indicating the detailed molecular arrangement facilitated by interactions such as N H⋅⋅⋅O hydrogen-bonds and C-Br⋅⋅⋅π intermolecular interactions (Polo et al., 2019).

Chemical Reactions and Properties

2-Bromobenzotrifluoride is involved in various chemical reactions, including photoinduced homolysis leading to cyclization processes to yield fluorenones. The nature of substituents significantly influences the reactivity and outcome of these reactions, illustrating the compound's utility in synthesizing complex organic structures (Moorthy & Samanta, 2007).

Physical Properties Analysis

The physical properties of 2-Bromobenzotrifluoride derivatives, such as crystal structure, can be determined through single-crystal X-ray diffraction analysis. These studies provide insights into the supramolecular packing array and the interactions that stabilize the crystal structure, which are critical for understanding the material's properties (Polo et al., 2019).

Chemical Properties Analysis

The chemical properties of 2-Bromobenzotrifluoride, such as reactivity in the presence of various substituents and conditions, highlight its versatility in organic synthesis. For example, its participation in the synthesis of halogenated derivatives of (dibenzoylmethanato)boron difluoride to study photophysical properties showcases its applicability in material science and photophysics (Kononevich et al., 2017).

Scientific Research Applications

2-Bromobenzotrifluoride is a chemical compound with the formula BrC6H4CF3 . It’s a liquid that has a refractive index of 1.482 and a density of 1.652 g/mL at 25 °C. It’s used in various scientific fields, particularly in chemistry.

• Chemistry : 2-Bromobenzotrifluoride can be used as a building block in organic synthesis. It’s often used in reactions that involve palladacycle catalysts.
• Material Science : Due to its unique physical and chemical properties, 2-Bromobenzotrifluoride could potentially be used in the development of new materials.
• Environmental Science : The environmental impact and safety of 2-Bromobenzotrifluoride is a subject of study. It’s important to understand how this compound interacts with the environment and how it can be safely handled.
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• Physics : The physical properties of 2-Bromobenzotrifluoride, such as its refractive index and density, can be important in certain physics experiments.
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• Synthesis : A patent from Suzhou Zhengji Pharmaceutical Co., Ltd. describes a method for synthesizing 2-Bromobenzotrifluoride. The method involves reacting 2-Aminotrifluoromethylbenzene with hydrobromic acid and sodium nitrite to obtain a diazonium salt solution, which is then reacted with cuprous bromide and hydrobromic acid to obtain 2-Bromobenzotrifluoride. This method overcomes the defects of high cost and many product impurities in prior art.
• Palladacycle Catalysts : 2-Bromobenzotrifluoride can be used in reactions involving palladacycle catalysts. For example, it was used to study the catalytic activity of palladacycle using the Suzuki-Miyaura reaction.
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• Synthesis : A patent from Suzhou Zhengji Pharmaceutical Co., Ltd. describes a method for synthesizing 2-Bromobenzotrifluoride. The method involves reacting 2-Aminotrifluoromethylbenzene with hydrobromic acid and sodium nitrite to obtain a diazonium salt solution, which is then reacted with cuprous bromide and hydrobromic acid to obtain 2-Bromobenzotrifluoride. This method overcomes the defects of high cost and many product impurities in prior art.
• Palladacycle Catalysts : 2-Bromobenzotrifluoride can be used in reactions involving palladacycle catalysts. For example, it was used to study the catalytic activity of palladacycle using the Suzuki-Miyaura reaction.
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Safety And Hazards

2-Bromobenzotrifluoride is considered hazardous by the 2012 OSHA Hazard Communication Standard (29 CFR 1910.1200). It is classified as a flammable liquid, skin corrosive/irritant, serious eye damage/eye irritant, and specific target organ toxicant (single exposure) with the target organ being the respiratory system. Safety measures include wearing suitable protective equipment, preventing the generation of vapor or mist, keeping away from heat/sparks/open flame/hot surfaces, and washing hands and face thoroughly after handling.

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