446-34-4 | 3-Fluoro-4-nitrotoluene

CAS:446-34-4 | 3-Fluoro-4-nitrotoluene,Description

Synthesis Analysis

The synthesis of 3-fluoro-4-nitrotoluene involves nitration processes of 3-fluorotoluene using acetic anhydride (CH_3CO)_2O and concentrated HNO_3, or mixed acid of HNO_3-H_2SO_4. Research has identified nitration conditions that improve the selectivity for 3-fluoro-4-nitrotoluene production, highlighting the importance of optimizing reaction parameters for efficient synthesis (Meng Xiao-yan, 2006).

Molecular Structure Analysis

Studies on molecular structure analysis through techniques such as IR, 1HNMR, and MS have been conducted to verify the composition and structure of 3-fluoro-4-nitrotoluene and related compounds. For example, the synthesis of 4-fluoro-3-phenoxytoluene and its structure confirmation through these analytical methods provides insights into the structural integrity and characteristics of fluoro-nitrotoluene derivatives (Zhao Wenxian et al., 2004).

Chemical Reactions and Properties

3-Fluoro-4-nitrotoluene undergoes various chemical reactions, including nucleophilic aromatic substitution, which allows for the modification of the molecule and the introduction of different functional groups. The compound's ability to undergo such reactions makes it a versatile intermediate for the synthesis of a wide range of chemical entities (M. Araki et al., 1968).

Scientific Research Applications

Application in Medicinal Chemistry

• Specific Scientific Field : Medicinal Chemistry.
• Summary of the Application : 3-Fluoro-4-nitrotoluene has been used in the preparation of an IκB kinase (IKK) inhibitor. IKK inhibitors are significant in the field of medicinal chemistry as they play a crucial role in the regulation of the nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) signaling pathway, which is involved in immune responses, inflammation, and cancer.

Application in Agrochemical Industry

• Specific Scientific Field : Agrochemical Industry.
• Summary of the Application : 3-Fluoro-4-nitrotoluene is used as an intermediate for the synthesis of herbicides, fungicides, and insecticides.

Application in Chemical Industry

• Specific Scientific Field : Chemical Industry.
• Summary of the Application : 3-Fluoro-4-nitrotoluene is used as a building block in the chemical industry. It is used in the synthesis of various chemical compounds due to its unique chemical structure.

Application in Pharmaceutical Industry

• Specific Scientific Field : Pharmaceutical Industry.
• Summary of the Application : 3-Fluoro-4-nitrotoluene is used as an intermediate for the synthesis of various drugs such as antitumor agents, antibacterial agents, and anti-inflammatory agents. The compound’s unique chemical structure enables it to play a vital role in drug development and synthesis.

Application in Dye and Pigment Industry

• Specific Scientific Field : Dye and Pigment Industry.
• Summary of the Application : In the chemical industry, 3-Fluoro-4-nitrotoluene is used as an intermediate for the synthesis of various chemical compounds such as dyes, pigments, and flavors. The compound’s unique chemical structure makes it an essential building block for the production of these chemical compounds.

Safety And Hazards

3-Fluoro-4-nitrotoluene is harmful if swallowed, in contact with skin or if inhaled. It causes skin irritation and serious eye irritation. It should be disposed of in an approved waste disposal plant.

Future Directions

3-Fluoro-4-nitrotoluene is used as an intermediate for the synthesis of various drugs. Its unique chemical structure enables it to play a vital role in drug development and synthesis.

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