119584-73-5 | 2-ETHOXY-6-FLUORO-BENZONITRILE, 98%

CAS:119584-73-5 | 2-ETHOXY-6-FLUORO-BENZONITRILE, 98%,Description

Synthesis Analysis

While the specific synthesis of 2-Ethoxy-6-fluorobenzonitrile is not directly detailed in available literature, the synthesis of similar fluorobenzonitrile derivatives involves halodeboronation of aryl boronic acids or through direct functionalization of benzene derivatives. For instance, a scalable synthesis approach involves the bromodeboronation of 2-cyano-6-fluorophenylboronic acid using NaOMe-catalyzed reactions, demonstrating the versatility of halodeboronation in synthesizing halogenated benzonitriles (Ronald H. Szumigala et al., 2004).

Molecular Structure Analysis

The molecular structure of 2-Ethoxy-6-fluorobenzonitrile is characterized by its benzene ring substituted with an ethoxy group at the second position, a fluorine atom at the sixth position, and a cyano group. Detailed analyses, such as Density Functional Theory (DFT) calculations, provide insights into geometrical parameters, vibrational spectra, and electronic transitions, offering a foundation for understanding the compound's chemical behavior and properties (Arockiasamy Ajaypraveenkumar et al., 2017).

Scientific Research Applications

• Synthesis and Structural Studies :
  • Studies have explored the synthesis of various fluorobenzonitrile derivatives, including methods such as halodeboronation (Szumigala et al., 2004) and energetic and structural analyses of fluorobenzonitriles (Ribeiro da Silva et al., 2012).
• Chemical Reactions and Applications :
  • Research has been conducted on the synthesis of specific fluorobenzonitrile derivatives for various applications, including the development of intermediates for pharmaceuticals (Zhou Peng-peng, 2013).
  • Studies on the interaction of fluorobenzonitrile derivatives in dielectric media (Ojha, 2005) and the reactivity of aromatic carbonitrile radical anions for arylation of fluorinated benzonitriles (Peshkov et al., 2019) have been explored.
• Pharmaceutical and Medicinal Chemistry :
  • Research on the synthesis of various derivatives of fluorobenzonitriles for use in pharmaceuticals, such as the development of a fluoroketamine derivative (Moghimi et al., 2014), and in radioligand production (Gopinathan et al., 2009).
• Analytical and Physical Chemistry :
  • Studies on the microwave spectral analysis of fluorobenzonitrile isomers (Varadwaj & Jaman, 2006) and vibrational analysis of substituted benzonitriles (Kumar & Rao, 1997) have been conducted to understand their physical properties.
• Material Science and Polymer Chemistry :
  • Research includes the synthesis and properties of new alternating copolyethers containing pendent cyano groups (Mercer et al., 1994), indicating applications in polymer and material sciences.

Safety And Hazards

The compound is labeled with the signal word “Warning” and has hazard statements H315, H319, H335. This indicates that it can cause skin irritation, serious eye irritation, and may cause respiratory irritation. Precautionary measures include avoiding breathing dust/fume/gas/mist/vapors/spray and using only outdoors or in a well-ventilated area.

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