622-95-7Relevant articles and documents
Role of Cage Return and Solvent Viscosity in the Temperature-Dependent Kinetics of Benzylic Bromination
Tanner, Dennis D.,Nam, Hguyen H.
, p. 4686 - 4688 (1987)
The effect of temperature on both the kinetic isotope effect in the homolytic abstraction of benzylic hydrogen by bromine and the competitive brominations of toluene and a ring-substituted toluene was interpreted as being due not only to the activation parameters involved in abstraction but upon the viscosity dependence of the kinetic results.Internal cage return was shown to be viscosity dependent, and the resultant kinetic isotope effect was corrected to account for cage reversal.The viscosity dependence in the relative rates of competitive bromination of toluene and p-chlorotoluene showed an inverse correlation to that obtained with temperature.The nonmonotonic Arrhenius plot previously reported could be explained on the basis of these two opposing effects, as well as the fact that over the range of temperature previously reported the reaction mixtures became nonhomogeneous.
Synthesis, Docking, and Biological activities of novel Metacetamol embedded [1,2,3]-triazole derivatives
Battu, Satyanarayana,Joolakanti, Hima Bindhu,Kamepalli, Ramanjaneyulu,Miryala, Jeevanreddy
, (2021/06/18)
ERα controls the breast tissue development and progression of breast cancer. In our search for novel compounds to target Estrogen Receptor Alpha Ligand-Binding Domain, we identified “N-(3-((1H-1,2,3-triazol-4-yl)methoxy)phenyl)acetamide” derivatives as lead compounds. The Docking studies indicated good docking score for Metacetamol derivatives when docked into the 1XP6. A series of metacetamol derivatives have been synthesized, characterized and evaluated for cytotoxicity, anti bacterial and anti oxidant activities. Among the tested twelve hybrid compounds, “7a, 7g, 7h and 7i” derivatives showed promising cytotoxicity with IC50 value of 50 value of 30 μM, whereas Compounds “7a, 7b, 7c, 7d, 7g, 7j, 7k and 7l” showed moderate anti bacterial activity with the MIC value of 300 μM.
Thiourea-Catalyzed C?F Bond Activation: Amination of Benzylic Fluorides
Houle, Camille,Savoie, Paul R.,Davies, Clotilde,Jardel, Damien,Champagne, Pier Alexandre,Bibal, Brigitte,Paquin, Jean-Fran?ois
supporting information, p. 10620 - 10625 (2020/07/24)
We describe the first thiourea-catalyzed C?F bond activation. The use of a thiourea catalyst and Ti(OiPr)4 as a fluoride scavenger allows the amination of benzylic fluorides to proceed in moderate to excellent yields. Preliminary results with S- and O-based nucleophiles are also presented. DFT calculations reveal the importance of hydrogen bonds between the catalyst and the fluorine atom of the substrate to lower the activation energy during the transition state.
