(1-Bromo-naphthalen-2-yl)acetonitrile

Area of Science:

• Organic Chemistry
• Crystallography

Background:

• Suzuki cross-coupling reactions are vital for C-C bond formation in organic synthesis.
• Naphthalene derivatives are important building blocks in medicinal chemistry and materials science.

Purpose of the Study:

• To synthesize a novel naphthalene derivative for use in Suzuki cross-coupling reactions.
• To characterize the structural properties of the synthesized compound, including its three-dimensional conformation.

Main Methods:

• Synthesis of the title compound, C(12)H(8)BrN.
• Single-crystal X-ray diffraction analysis to determine molecular structure and conformation.

Main Results:

• The title compound was successfully prepared as a precursor for Suzuki coupling.
• X-ray diffraction data revealed a torsion angle of 30.7° around the ring-methylene C-C bond.
• The nitrogen atom was found to be displaced by 1.174 Å from the naphthalene ring plane.

Conclusions:

• The synthesized naphthalene derivative is suitable for subsequent Suzuki cross-coupling reactions.
• The non-planar conformation of the molecule, characterized by the torsion angle and nitrogen displacement, may influence its reactivity and properties.