4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile
[CAS# 1217366-74-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Cyanide/nitrile
• Name: 4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile
• Molecular Formula: C₁₆H₁₂BrNO₃
• Molecular Weight: 346.18
• CAS Registry Number: 1217366-74-9
• SMILES: C1COC(O1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)C#N)Br

Properties

• Solubility: Insoluble (3.5E^-3 g/L) (25 °C), Calc.^*
• Density: 1.55±0.1 g/cm³ (20 °C 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2016 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H332-H335
• Safety Statements: P261-P280-P305+P351+P338

Discovery and Applications

4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile is a synthetic organic compound that was discovered during research into novel chemical compounds with potential applications in various industries, including pharmaceuticals and materials science. The compound was synthesized through organic reactions involving the bromination of a phenoxybenzonitrile derivative and subsequent reaction with a dioxolane-containing reagent. This discovery stemmed from efforts to develop molecules with specific structural features that could impart desired properties, such as biological activity or material compatibility. While the exact circumstances of its discovery may vary, the compound's synthesis represents a milestone in chemical research and highlights the importance of systematic exploration in discovering new compounds.

This compound serves as a valuable scaffold for the development of novel pharmaceuticals. Its aromatic core, bromine substitution, and dioxolane moiety make it a promising candidate for drug discovery programs targeting various diseases, including cancer, cardiovascular disorders, and neurological conditions.

Derivatives of 4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile can be evaluated in biological assays to assess their pharmacological activity and mechanism of action. This information is crucial for identifying lead compounds with therapeutic potential.

The compound can be incorporated into polymer chains to impart specific properties to the resulting materials. Its bromine and dioxolane functionalities can enhance polymer compatibility, thermal stability, and flame retardancy, making it suitable for applications in coatings, adhesives, and electronics.

4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile derivatives can be used as building blocks for the synthesis of functional nanomaterials. These nanomaterials have potential applications in catalysis, sensors, and drug delivery systems.

The compound's aromatic structure and bromine substitution make it a suitable precursor for the synthesis of herbicides and pesticides. Its derivatives can effectively target specific plant or insect proteins, providing selective control over unwanted pests or weeds in agriculture.

4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile serves as a versatile intermediate in organic synthesis. Its reactivity allows for the introduction of various functional groups, enabling the creation of diverse chemical libraries for screening in drug discovery or materials science research.

Derivatives of this compound can act as catalysts in organic reactions, facilitating the formation of carbon-carbon or carbon-heteroatom bonds. These catalytic processes are essential for the synthesis of complex organic molecules in chemical manufacturing.

References

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