Abstract: To address the drawbacks of traditional chemical experiment teaching—namely, “emphasizing synthesis over design and neglecting correlation”—this study integrates cutting-edge scientific issues of blue-emitting materials in OLED technology into teaching, designing a comprehensive experiment that combines “computational design, chemical synthesis, and performance characterization.” The experiment targets the donor-π-conjugated bridge-acceptor (D-π-A) type molecule mPTPH, guiding students through Gaussian theoretical calculations and structural predictions, Suzuki coupling reaction synthesis and purification, followed by systematic characterization using nuclear magnetic resonance, thermal analysis, spectroscopy, and electrochemical methods. Teaching practice demonstrates that this experiment successfully constructs a complete research training loop, enabling students to successfully prepare the target molecule with correct structure, good thermal stability, and blue emission characteristics, effectively deepening their understanding of the “structure-performance” relationship. By transforming cutting-edge research into high-quality teaching resources, this experiment significantly enhances students’ comprehensive practical abilities and innovative literacy, offering exemplary and scalable value for advanced experimental teaching reforms in materials and chemical disciplines.