《A Predictive Model Towards Site-Selective Metalations of Functionalized Heterocycles, Arenes, Olefins, and Alkanes using TMPZnCl·LiCl》 was published in Angewandte Chemie, International Edition in 2020. These research results belong to Balkenhohl, Moritz; Jangra, Harish; Makarov, Ilya S.; Yang, Shu-Mei; Zipse, Hendrik; Knochel, Paul. Category: pyrimidines The article mentions the following:
The development of a predictive model towards site-selective deprotometalation reactions using TMPZnCl·LiCl is reported (TMP = 2,2,6,6-tetramethylpiperidinyl). The pKa values of functionalized N-, S-, and O-heterocycles, arenes, alkenes, or alkanes were calculated and compared to the exptl. deprotonation sites. Large overlap (>80%) between the calculated and empirical deprotonation sites was observed, showing that thermodn. factors strongly govern the metalation regioselectivity. In the case of olefins, calculated frozen state energies of the deprotonated substrates allowed a more accurate prediction. Addnl., various new N-heterocycles were analyzed and the metalation regioselectivities rationalized using the predictive model. After reading the article, we found that the author used 2,4,6-Trichloropyrimidine(cas: 3764-01-0Category: pyrimidines)
2,4,6-Trichloropyrimidine(cas: 3764-01-0) is a member of organic chlorides. Almost all organochlorine compounds are synthesized. It is widely used as intermediates, solvents and pesticides of chemical synthetic products.Category: pyrimidines
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia