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. In an article, author is Dolenc, Darko, once mentioned the application of 91-10-1, Name is 2,6-Dimethoxyphenol, molecular formula is C8H10O3, molecular weight is 154.1632, MDL number is MFCD00064434, category is isothiazole. Now introduce a scientific discovery about this category, Product Details of 91-10-1.
EDA Complexes of N-halosaccharins with N- and O-donor ligands
A series of EDA complexes of N-iodosaccharin (NISac) and N-bromosaccharin (NBSac) with nitrogen and oxygen electron-pair donors, NISac center dot H2O, NISac center dot THF, NISac center dot Py, NISac(2)center dot Pyz and NBSac(2)center dot Pyz, was prepared and examined by X-ray diffraction and NMR. The complexes are relatively stable, crystalline compounds with the ligand bound to the halogen atom in a nearly linear arrangement N-halogen-ligand. The halogen-ligand distances are inversely proportional to the donor ability of the ligand. The interactions between ligand and halogen are stronger for iodine than bromine. The X-ray structure analysis has shown that for some compounds the N-X bond in the halosaccharin moiety is not coplanar with the isothiazole ring, and the quantum-chemical calculations demonstrate a high flexibility of the corresponding angle. Complexes were modelled also by DFT calculations using B3LYP and MPW1K functionals. A better fit of the computed geometry was obtained by the geometry optimization in a polar solvent continuum than in vacuum.
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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com