Name: 3-Methoxybenzoic acid, New discoveries in chemical research and development in 2021.The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 586-38-9, Name is 3-Methoxybenzoic acid, SMILES is O=C(O)C1=CC=CC(OC)=C1, molecular formula is C8H8O3, belongs to thiomorpholine compound. In an article, author is Ristic, Predrag, introduce new discover of the category.
Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M-S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M-S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C-H/M and C-H/S are more dominant in 1 and C-H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt-S bond with respect to the ring chair conformation results in a significantly shorter C-H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C-H/Pd interaction distances in conformers with axial and equatorial positions of Pd-S bond with respect to the ring chair conformation.
The result showed that such a combination of chemo- and biocatalysis improved the catalytic yield more than two times compared with that of sole metal catalysis.you can check my other blog about 586-38-9, you can contact me at any time and look forward to more communication. Name: 3-Methoxybenzoic acid.
Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem