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Related Concept Videos

Stability of Substituted Cyclohexanes02:30

Stability of Substituted Cyclohexanes

13.3K
This lesson discusses the stability of substituted cyclohexanes with a focus on energies of various conformers and the effect of 1,3-diaxial interactions.
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
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Cycloaddition Reactions: Overview01:16

Cycloaddition Reactions: Overview

2.9K
Cycloadditions are one of the most valuable and effective synthesis routes to form cyclic compounds. These are concerted pericyclic reactions between two unsaturated compounds resulting in a cyclic product with two new σ bonds formed at the expense of π bonds. The [4 + 2] cycloaddition, known as the Diels–Alder reaction, is the most common. The other example is a [2 + 2] cycloaddition.
2.9K
Cyclohexenones via Michael Addition and Aldol Condensation: The Robinson Annulation01:27

Cyclohexenones via Michael Addition and Aldol Condensation: The Robinson Annulation

2.4K
Robinson annulation is a base-catalyzed reaction for the synthesis of 2-cyclohexenone derivatives from 1,3-dicarbonyl donors (such as cyclic diketones, β-ketoesters, or β-diketones) and α,β-unsaturated carbonyl acceptors. Named after Sir Robert Robinson, who discovered it, this reaction yields a six-membered ring with three new C–C bonds (two σ bonds and one π bond).
2.4K
Combustion Energy: A Measure of Stability in Alkanes and Cycloalkanes02:14

Combustion Energy: A Measure of Stability in Alkanes and Cycloalkanes

7.0K
The low reactivity in alkanes can be attributed to the non-polar nature of C–C and C–H σ bonds. Alkanes, therefore, were  initially termed as “paraffins,” derived from the Latin words: parum, meaning “too little,” and affinis, meaning “affinity.”
Alkanes undergo combustion in the presence of excess oxygen and high-temperature conditions to give carbon dioxide and water. A combustion reaction is the energy source in natural gas, liquified...
7.0K
Cycloalkanes02:28

Cycloalkanes

13.8K
Cycloalkanes are saturated cyclic hydrocarbons with carbon atoms arranged in the form of rings. They have two fewer hydrogen atoms than the corresponding acyclic alkane; therefore, their general formula is CnH2n. The structural formulas of cycloalkanes are simplified using the line-angle representation. The regular polygons are used to represent the cycloalkane rings, with each side representing a carbon-carbon bond.
The IUPAC nomenclature of cycloalkanes follows similar rules that apply to...
13.8K
Halogenation of Alkenes02:46

Halogenation of Alkenes

16.6K
Halogenation is the addition of chlorine or bromine across the double bond in an alkene to yield a vicinal dihalide. The reaction occurs in the presence of inert and non-nucleophilic solvents, such as methylene chloride, chloroform, or carbon tetrachloride.
Consider the bromination of cyclopentene. Molecular bromine is polarized in the proximity of the π electrons of cyclopentene. An electrophilic bromine atom adds across the double bond, forming a cyclic bromonium ion intermediate.
16.6K

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Highly Stereoselective Synthesis of 1,6-Ketoesters Mediated by Ionic Liquids: A Three-component Reaction Enabling Rapid Access to a New Class of Low Molecular Weight Gelators
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Highly Stereoselective Synthesis of 1,6-Ketoesters Mediated by Ionic Liquids: A Three-component Reaction Enabling Rapid Access to a New Class of Low Molecular Weight Gelators

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Cyclohexanone-Based Chalcones as Alternatives for Fuel Additives.

Lóide O Sallum1,2, Vitor S Duarte1,3, Jean M F Custodio1

  • 1Grupo de Química Teórica e Estrutural, Universidade Estadual de Goiás, Anápolis, Goiás 75132-903, Brazil.

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Summary

Three novel cyclohexanone-based chalcones were synthesized as potential fuel additives. These compounds show promise for developing cheaper and more efficient fuels, addressing environmental concerns.

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Area of Science:

  • Materials Science
  • Organic Chemistry
  • Computational Chemistry

Background:

  • Growing demand for efficient fuels driven by environmental concerns.
  • Chalcones and their derivatives are explored as potential fuel additives.
  • Need for novel compounds to improve fuel efficiency and sustainability.

Purpose of the Study:

  • Synthesize and characterize novel cyclohexanone-based chalcones (BH I, II, III).
  • Investigate intermolecular interactions and supramolecular structures in the solid-state.
  • Evaluate the potential of these compounds as fuel additives.

Main Methods:

  • Single-crystal X-ray diffraction for structural determination.
  • Hirshfeld surface analysis for intermolecular interactions.
  • Computational methods (DFT, QTAIM) for theoretical analysis.
  • Calorific value experiments for fuel additive potential.

Main Results:

  • Successfully synthesized and structurally elucidated three cyclohexanone-based chalcones.
  • Detailed analysis of intermolecular interactions and hyperconjugative energies.
  • Structure-property relationships and molecular properties indicate suitability as fuel additives.
  • Experimental calorific values support their use as efficient fuel additives.

Conclusions:

  • The synthesized chalcones are viable alternatives for fuel additive applications.
  • Findings contribute to the development of cost-effective and efficient fuel additives.
  • Opens avenues for further research on similar chalcone analogues for energy applications.