Tsujimoto, Toshio; Kobayashi, Chizuko; Nomura, Toshiro; Iifuru, Makiko; Sasaki, Yoshio published the artcile< Studies on carbon-13 magnetic resonance spectroscopy. XV. Correlation between carbon-13 NMR chemical shifts and charge densities of diaza-benzenes>, Application In Synthesis of 20744-39-2, the main research area is LFER diazabenzene carbon NMR; MO electron density pyrazine; substituent effect carbon NMR; pyrimidine carbon NMR MO; pyridazine carbon NMR MO.
Charge d. of 2-substituted pyrazines, 5-substituted pyrimidines, or 4-substituted pyridazines were calculated by MINDO/2. The correlations of the substituent-induced 13C chem. shifts (13C SCS) values of these compounds with total charge d. were determined, and LFER between the 2 parameters were found even at the ipso position; the correlations of the ipso SCS with a linear combination of substituent constants were poor.
Chemical & Pharmaceutical Bulletin published new progress about Bond order. 20744-39-2 belongs to class pyridazine, and the molecular formula is C4H5N3, Application In Synthesis of 20744-39-2.
Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem