مشخصات پژوهش

عنوان	Application of chiral Betti base-copper complexes in enantioselective allylic oxidation of olefins, computational studies of the Betti bases, and docking of the resulting chiral allylic esters
نوع پژوهش	مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها	Chiral Betti bases, Enantioselective allylic oxidation, Allylic ester, Computational study, Docking
چکیده	Chiral (R)- and (S)-Betti bases have been initially synthesized from resolution of the corresponding racemic mixture by diastereomeric recrystallization method using L-(+)-tartaric acid, and then the copper complexes of the Betti bases have been studied in enantioselective allylic C-H bond oxidation of olefins. This kind of ligands gave enantioenriched allylic esters with good to high yields and satisfactory enantioselectivities under optimized conditions. In addition, the thermodynamic stability of the Betti base mixture and binding energy between the racemic Betti bases and L-(+)-tartaric acid in the resolution process have been calculated using the M06-2X method and 6-311++G(d,p) basis set. Furthermore, the bioactivity of the synthesized chiral allylic esters has been investigated towards the PI3Kα enzyme with the use of AutoDock Vina.
پژوهشگران	سعدی صمدی (نفر پنجم)، عبدالحمید آروین نژاد (نفر سوم)، سیروان منصوری (نفر دوم)، زهرا صحت (نفر اول)، یونس نقدی (نفر چهارم)