Search engine for discovering works of Art, research articles, and books related to Art and Culture
Javascript must be enabled to continue!
Synthesis, Characterization and Theoretical Insights into Molecular Properties of 2-(4-fluorophenyl)-4H-chromen-4-one
View through CrossRef
Flavone scaffold is one of the most often perceived parts in biologically active organic compounds. In light of this, a flavone; 2-(4-fluorophenyl)-4H-chromen-4-one (FPC) has been synthesized, characterized and studied by using density functional theory (DFT) at B3LYP/6-31G(d,p) basis set. The geometry of the FPC molecules has been optimized by using B3LYP/6-31G(d,p) basis set and in-depth structural analysis on bond lengths and bond angles has been discussed. The HOMO-LUMO analysis and various quantum chemical parameters are computed and discussed for the better understanding of chemical behaviour of the title molecule. Molecular electrostatic potential (MEP) surface investigation is presented to understand the reactivity sites of the title molecule.
Title: Synthesis, Characterization and Theoretical Insights into Molecular Properties of 2-(4-fluorophenyl)-4H-chromen-4-one
Description:
Flavone scaffold is one of the most often perceived parts in biologically active organic compounds.
In light of this, a flavone; 2-(4-fluorophenyl)-4H-chromen-4-one (FPC) has been synthesized, characterized and studied by using density functional theory (DFT) at B3LYP/6-31G(d,p) basis set.
The geometry of the FPC molecules has been optimized by using B3LYP/6-31G(d,p) basis set and in-depth structural analysis on bond lengths and bond angles has been discussed.
The HOMO-LUMO analysis and various quantum chemical parameters are computed and discussed for the better understanding of chemical behaviour of the title molecule.
Molecular electrostatic potential (MEP) surface investigation is presented to understand the reactivity sites of the title molecule.
Related Results
Synthesis, characterization and application of novel ionic liquids
Synthesis, characterization and application of novel ionic liquids
Ionic liquids (ILs) or molten salts at room temperature presently experience significant attention in many areas of chemistry. The most attractive property is the “tenability” of t...
Investigating Amphoteric 3,4’-Biscoumarin-Based <em>ortho</em>-[(dialkylamino)methyl]phenols as Dual MAO and ChE Inhibitors
Investigating Amphoteric 3,4’-Biscoumarin-Based <em>ortho</em>-[(dialkylamino)methyl]phenols as Dual MAO and ChE Inhibitors
About twenty previously and newly synthesized amphoteric 8-[(dialkylamino)methyl]-7-hydroxy-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-2-ones were assayed as inhibitors of monoamine oxid...
Synthesis, Bioactivity Evaluation, and Molecular Docking Study of Novel 1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl) urea derivatives as Anticancer Agents
Synthesis, Bioactivity Evaluation, and Molecular Docking Study of Novel 1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl) urea derivatives as Anticancer Agents
This study aims to design, synthesize, and evaluate novel 1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl) urea derivatives based on a deguelin-truncated carboxamide scaffold as anticanc...
2-(2-(4-Methoxyphenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-3-yl)acetic Acid
2-(2-(4-Methoxyphenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-3-yl)acetic Acid
For the first time, we describe a new approach towards the synthesis of previously unknown 2-(2-(4-methoxyphenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-3-yl)acetic acid. The pre...
MARS-seq2.0: an experimental and analytical pipeline for indexed sorting combined with single-cell RNA sequencing v1
MARS-seq2.0: an experimental and analytical pipeline for indexed sorting combined with single-cell RNA sequencing v1
Human tissues comprise trillions of cells that populate a complex space of molecular phenotypes and functions and that vary in abundance by 4–9 orders of magnitude. Relying solely ...
Preparation of Tetrabutylammonium (4‐fluorophenyl)trifluoroborate
Preparation of Tetrabutylammonium (4‐fluorophenyl)trifluoroborate
Abstract
4‐Fluorophenyl boronic acid
Tetrabutylammonium bifluoride
Chloroform
Tetrabutylammonium (4‐fluorophenyl)trifluoroborate
T...
Predicting Properties of Polymer Materials Using Machine Learning Methods
Predicting Properties of Polymer Materials Using Machine Learning Methods
Accurate prediction of polymer properties is essential for their effective application and devel- opment. However, traditional experimental methods are often prohibitively time-con...
Synergetic toughening of polyphenylene sulfide by poly(aryl ether sulfone ketone) and poly(ethylene‐ran‐methacrylate‐ran‐glycidyl methacrylate)
Synergetic toughening of polyphenylene sulfide by poly(aryl ether sulfone ketone) and poly(ethylene‐ran‐methacrylate‐ran‐glycidyl methacrylate)
AbstractThe toughened polyphenylene sulfide (PPS) was prepared using copolymer poly(aryl ether sulfone ketone) as the toughening agent, which was synthesized through copolycondensa...