New research progress on 291756-76-8 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. 291756-76-8, Name is (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate, molecular formula is C7H14ClF6N2P, belongs to pyrrolines compound, is a common compound. In a patnet, author is Yadav, Krishna Kant, once mentioned the new application about 291756-76-8, Quality Control of (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate.
Diethyl (2-Amino-3-Cyano-4H-Chromen-4-yl)Phosphonate and Its Halogenated Derivatives as Effective Drug: A Theoretical and an Experimental Spectroscopic Study
Theoretical calculations of geometrical structure and vibrational wavenumbers, nuclear magnetic behavior and natural bond orbital(NBO) analysis were carried out using density functional (DFT/B3LYP) method with 6-311++G(d, p) as basis set for diethyl (2-amino-3-cyano-4H-chromen-4-yl)phosphonate (DACHP;1), diethyl (2-amino-6-chloro-3-cyano-4H-chromen-4-yl)phosphonate (CDACHP;2) and diethyl (2-amino-6-bromo-3-cyano-4H-chromen-4-yl)phosphonate (BDACHP;3). The global reactivity descriptors are also calculated and compared at same level of theory for all the three molecules. The FT-IR spectra of the compounds under study were measured in their condensed state. The calculated scaled vibrational wavenumbers were found in good agreement with the experimental wavenumbers. Hyper-conjugative interactions and charge delocalization within the molecules were studied using NBO analysis to explore their stability.H-1 NMR and(13)C NMR chemical shifts of the title molecules were calculated by the GIAO method and compared with experimental results, and good correlations were accomplished. Molecular docking studies were performed for all the three molecules (1-3)to elicit their possible potential as an effective drug.
The potential utility of systematic synthetic strategy will be applicable to efficient generations of chemical libraries of compounds to find ‘hit’ molecules. In my other articles, you can also check out more blogs about 291756-76-8. Quality Control of (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate.
Reference:
Pyrroline – Wikipedia,
,1-Pyrroline | C4H7N – PubChem