56-95-1, Name is Chlorhexidine Diacetate, molecular formula is C26H38Cl2N10O4, belongs to phthalazine compound, is a common compound. In a patnet, author is Fallah-Ghasemi Gildeh, Sara, once mentioned the new application about 56-95-1, Application In Synthesis of Chlorhexidine Diacetate.
Benzylation of DBU followed by anion exchange of the resulting salt with trifluoroacetate gave nearly quantitatively the ionic liquid [Bn-DBU][TFA]. It is shown here to be an efficient catalyst for the synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-dionesviathe three-component reaction of phthalhydrazide, aromatic aldehydes, and active alpha-methylene nitriles. DFT calculations at the B3LYP/SVP level and the experimental results are in agreement with a three-step mechanism for this reaction. Based on the DFT calculations, the catalytic effect largely arises from the intrinsic ionic properties of the ionic liquid rather than its action as a simple base. These calculations also predict the existence of two close-in-energy activated complexes whose rate determining roles and energies depend on their interaction with the anionic component of the ionic liquid, as [Bn-DBU][TFA] has shown a higher catalytic activity than [Bn-DBU][OAc]. This mechanistic approach opens up new and promising insights into the rational design of ionic liquid catalysts for the synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-diones. The synthetic method presented here has several prominent advantages.
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Reference:
Phthalazine – Wikipedia,
,Phthalazine | C8H6N2 – PubChem