170098-98-3 | 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene

CAS:170098-98-3 | 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene,Description

1-Bromo-4-fluoro-2-methyl-5-nitrobenzene is a compound that is not directly described in the provided papers. However, the papers do discuss related bromo-nitrobenzene derivatives and their properties, which can provide insights into the characteristics of similar compounds. These derivatives are often used as intermediates in the synthesis of medicinal agents, pharmaceuticals, dyes, and electroluminescent materials.

Synthesis Analysis

The synthesis of bromo-nitrobenzene derivatives typically involves multi-step reactions starting from simpler aromatic compounds. For example, 1-bromo-2,4-dinitrobenzene is synthesized from bromobenzene by nitration in water, achieving a high yield and purity. Similarly, 1,4-bis(bromomethyl)-2-fluorobenzene is obtained from p-xylene through nitration, reduction, diazotization, and bromination. These methods suggest that the synthesis of 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene would likely follow a comparable pathway, involving the careful introduction of functional groups to the benzene ring.

Molecular Structure Analysis

The molecular structure and vibrational frequencies of bromo-fluorobenzene derivatives can be studied using spectroscopic methods such as FT-IR and FT-Raman, as well as computational methods like DFT calculations. These analyses provide detailed information on the geometry of the benzene ring and the influence of substituents like bromine and fluorine on the molecule's normal modes of vibration. For 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, similar studies would likely reveal how the electron-withdrawing nitro group and the electron-donating methyl group affect the overall molecular structure.

Chemical Reactions Analysis

The reactivity of bromo-nitrobenzene derivatives in various solvents can be quite distinct. For instance, the radical anions of 1-bromo-4-nitrobenzene show increased reactivity in ionic liquids compared to conventional solvents, leading to different reaction pathways and products. This suggests that the chemical reactions involving 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene would also be influenced by the choice of solvent, particularly if ionic liquids are used.

Physical and Chemical Properties Analysis

The physical and chemical properties of bromo-fluorobenzene derivatives can be explored through experimental and theoretical methods. Studies on 1-bromo-3-fluorobenzene have provided insights into its electronic properties, absorption wavelengths, excitation energy, dipole moment, and frontier molecular orbital energies. These properties are crucial for understanding the reactivity and potential applications of the compound. For 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, similar analyses would be necessary to determine its suitability for various applications, as well as its stability and reactivity under different conditions.

Scientific Research Applications

• Chemical Synthesis
  • Summary of the Application : “1-Bromo-4-fluoro-2-methyl-5-nitrobenzene” is used as a reagent in the synthesis of various chemical compounds.
  • Methods of Application or Experimental Procedures : One example is the Sonogashira reaction with 2-fluoronitrobenzene to afford predominantly the bromo displacement product.
  • Results or Outcomes : The reaction results in the synthesis of compounds like “6-bromo-1H-benzo[d][1,2,3]triazol-1-ol” and "2-(4-bromo-2-nitrophenylamino)-5-methylthiophene-3-carbonitrile".

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