89976-12-5 | 2-METHYL-5-NITROBENZOTRIFLUORIDE

CAS:89976-12-5 | 2-METHYL-5-NITROBENZOTRIFLUORIDE,Description

2-Methyl-5-nitrobenzotrifluoride is a chemical compound that is not directly mentioned in the provided papers. However, related compounds with similar functional groups, such as nitro, methyl, and trifluoromethyl groups on a benzene ring, are discussed. These compounds are of interest due to their potential applications in the synthesis of fine chemicals, pharmaceutical intermediates, and heterocyclic compounds.

Synthesis Analysis

The synthesis of related compounds involves various strategies, including continuous-flow millireactor systems for nitration reactions, and two-step synthesis protocols for dinitro-trifluoromethylated benzenes. The continuous-flow method offers advantages in terms of safety, control over impurities, and process efficiency. The two-step synthesis described for dinitro-trifluoromethylated benzenes involves nitration followed by a reaction with sulfur tetrafluoride, which could potentially be adapted for the synthesis of 2-Methyl-5-nitrobenzotrifluoride.

Molecular Structure Analysis

The molecular structure of compounds similar to 2-Methyl-5-nitrobenzotrifluoride has been determined using techniques such as single-crystal X-ray diffraction and 13C NMR spectroscopy. These studies provide insights into the arrangement of substituents on the benzene ring and the impact of these groups on the overall molecular conformation.

Chemical Reactions Analysis

The chemical reactivity of nitrobenzotrifluoride derivatives includes their participation in domino reactions to form functionalized heterocycles, and their use as building blocks for solid-phase synthesis of various heterocyclic scaffolds. The presence of nitro and trifluoromethyl groups influences the acidity and redox properties of these compounds, which in turn affects their chemical behavior in reactions.

Physical and Chemical Properties Analysis

The physical and chemical properties of nitrobenzotrifluoride derivatives are influenced by the presence of electron-withdrawing groups such as nitro and trifluoromethyl. These groups can enhance the acidity of the compounds, affect their crystallization behavior, and determine their suitability as intermediates in organic synthesis. The nitration process itself has been optimized for selectivity and environmental friendliness in the case of related compounds.

Scientific Research Applications

• Organic Synthesis : 2-Methyl-5-nitrobenzotrifluoride is used as an important intermediate for raw material in organic synthesis. The specific methods of application or experimental procedures would depend on the particular synthesis being performed.
• Agrochemicals : This compound is also used in the field of agrochemicals. It could be used in the synthesis of pesticides or other agrochemical products. Again, the specific methods and procedures would depend on the particular product being synthesized.
• Pharmaceuticals : In the pharmaceutical industry, 2-Methyl-5-nitrobenzotrifluoride could be used as a building block in the synthesis of various drugs. The specific methods and procedures would depend on the particular drug being synthesized.
• Dyestuff Field : This compound is used in the dyestuff field. It could be used in the synthesis of dyes or pigments. The specific methods and procedures would depend on the particular dye or pigment being synthesized.

Safety And Hazards

2-Methyl-5-nitrobenzotrifluoride is hazardous. It is recommended to avoid dust formation, breathing mist, gas, or vapors, and contact with skin and eyes. Use of personal protective equipment and chemical impermeable gloves is advised.

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