New Advances in Chemical Research in 2021, Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. 385-00-2, Name is 2,6-Difluorobenzoic acid, molecular formula is C7H4F2O2, belongs to isothiazole compound. In a document, author is Cao, Jun, introduce the new discover, Quality Control of 2,6-Difluorobenzoic acid.
The radiationless decay of the isothiazole and thiazole molecules in the gas phase is investigated by a combination of static MS-CASPT2 computations with dynamics simulations, and some deactivation pathways are identified leading from the lowest excited singlet (Si) state back to the electronic ground (So) state. The dominant relaxation pathway of the excited isothiazole is found to involve out-of-plane ring deformation (ring puckering) at the C4=C5(H8) S1 moiety, while the excited-state decay of thiazole can proceed through the ring puckering and S1-C2 bond cleavage pathways both of which happen at the S1-C2(H6) = N3 moiety. On the basis of the calculation results, we suggest that both ring puckering and ring-opening routes should play rather important roles in the photophysics and photochemistry of heterocyclic molecules, and the position of the N atom in the heterocyclic ring has an effect on the excited state deactivation. (C) 2017 Elsevier B.V. All rights reserved.
Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield. If you are hungry for even more, make sure to check my other article about 385-00-2, Quality Control of 2,6-Difluorobenzoic acid.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com