Synthetic Route of C4H6N2In 2022 ,《Revealing the Organization of Catalytic Sequence-Defined Oligomers via Combined Molecular Dynamics Simulations and Network Analysis》 appeared in Journal of Chemical Information and Modeling. The author of the article were Kardas, Sinan; Fossepre, Mathieu; Lemaur, Vincent; Fernandes, Antony E.; Glinel, Karine; Jonas, Alain M.; Surin, Mathieu. The article conveys some information:
Similar to biol. macromols. such as DNA and proteins, the precise control over the monomer position in sequence-defined polymers is of paramount importance for tuning their structures and properties toward achieving specific functions. Here, we apply mol. network anal. on three-dimensional structures issued from mol. dynamics simulations to decipher how the chain organization of trifunctional catalytic oligomers is influenced by the oligomer sequence and the length of oligo(ethylene oxide) spacers. Our findings demonstrate that the tuning of their primary structures is crucial for favoring cooperative interactions between the catalytic units and thus higher catalytic activities. This combined approach can assist in establishing structure-property relationships, leading to a more rational design of sequence-defined catalytic oligomers via computational chem. In the part of experimental materials, we found many familiar compounds, such as 1-Methyl-1H-imidazole(cas: 616-47-7Synthetic Route of C4H6N2)
1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Synthetic Route of C4H6N2
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem