New Advances in Chemical Research, April 2021.The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 3147-75-9, Name is 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol, SMILES is CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1, belongs to naphthyridine compound. In a document, author is Sutradhar, Tanushree, introduce the new discover, SDS of cas: 3147-75-9.
Five napthyridine-based fluorine boron (BF2-napthyridine) conjugated compounds have been theoretically designed, and subsequently, their photophysical properties are investigated. The influence of electron-donating and electron-withdrawing groups attached with the N(boolean AND)C(boolean AND)0 moiety of BF2-napthyridine molecule has been interpreted. The optoelectronic properties, including absorption spectra and emission spectra of the BF2-napthyridine derivatives are studied using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) based methods. Different characteristics, such as HOMO-LUMO gap, molecular orbital density, ionization potential, electron affinity, and reorganization energy for hole and electron, are calculated. All these molecules show excellent pi-electron delocalization. TD-DFT results illustrate that the amine-substituted BF2-napthyridine derivative has the highest absorption and emission maxima; it also shows a maximum Stoke shift. These results are well-correlated with the structural parameters and calculated HOMO-LUMO gap. Moreover, it is found that introduction of an electron-donating group into the BF2-napthyridine complex improves the hole transport properties and provides useful clues in designing new materials for organic light emitting diodes (OLED). As a whole, this work demonstrates that electron-donating and electron-withdrawing groups in BF2 derivatives can extend their effectiveness toward designing of OLED materials, vitro cellular studies, ex vivo assays, and in vivo imaging agents.
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.Welcome to check out more blogs about 3147-75-9, in my other articles. SDS of cas: 3147-75-9.
Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem