171050-06-9 | 3-Cyano-4-fluorobenzoic acid

CAS:171050-06-9 | 3-Cyano-4-fluorobenzoic acid,Description

Synthesis Analysis

The synthesis of similar fluorinated benzoic acids involves multiple steps, including condensation, reduction, and cyclization processes. A method described for 1-Fluoro-dibenzo[a,d]cycloheptanone, synthesized from phthalic anhydride and orthofluorophenyl acetic acid, showcases a high-yield and industrially valuable process due to its simplicity (Lili Wen, 2006). Such methodologies can be adapted for synthesizing 3-Cyano-4-fluorobenzoic acid, highlighting the importance of selecting appropriate raw materials and conditions for high efficiency.

Molecular Structure Analysis

The molecular structure of fluorinated benzoic acids can be elucidated using spectroscopy and crystallography techniques. Studies on similar compounds, like 1-(4-fluorobenzyl)-2-(4-cyanophenyl)-1H-benzimidazole-5-carbonitrile, have demonstrated the effectiveness of IR, NMR, and X-ray crystallography in confirming molecular structures and understanding intramolecular interactions (S. Özbey et al., 2004 ).

Chemical Reactions and Properties

Chemical properties of 3-Cyano-4-fluorobenzoic acid can be inferred from reactions involving similar compounds. For example, cyano-activated fluoro displacement reactions have been used to synthesize new groups of cyanodibenzo[1,4]dioxines, demonstrating the reactivity of cyano and fluoro groups under specific conditions (G. Eastmond et al., 2001).

Scientific Research Applications

•  
• Pharmaceuticals : This compound is also used in the pharmaceutical industry. The exact applications are not specified, but it could be used in the synthesis of various drugs.
• Agrochemicals : 3-Cyano-4-fluorobenzoic acid is used in the agrochemical industry. It could be involved in the production of pesticides, herbicides, or other agricultural chemicals.
• Dyestuff Fields : This compound is used in dyestuff fields. It might be used in the production of dyes or pigments.
• Material Science : Given its properties, it could be used in material science, possibly in the production or modification of certain materials.
• Chromatography : It might be used in chromatography, a laboratory technique for the separation of mixtures.

Safety And Hazards

The safety information for 3-Cyano-4-fluorobenzoic acid indicates that it is classified as Acute Tox. 4 Oral, Eye Dam. 1, Skin Irrit. 2, and STOT SE 3. The hazard statements include H302, H315, H318, and H335. The precautionary statements include P261, P264, P280, P301 + P312, P302 + P352, and P305 + P351 + P338.

More Information