Search results for "Grignard reaction"

showing 5 items of 5 documents

The Grignard Reaction − Unraveling a Chemical Puzzle

2020

More than 100 years since its discovery, the mechanism of the Grignard reaction remains unresolved. Ambiguities arise from the concomitant presence of multiple organomagnesium species and the competing mechanisms involving either nucleophilic addition or the formation of radical intermediates. To shed light on this topic, quantum-chemical calculations and ab initio molecular dynamics simulations are used to study the reaction of CH3MgCl in tetrahydrofuran with acetaldehyde and fluorenone as prototypical reagents. All organomagnesium species coexisting in solution due to the Schlenk equilibrium are found to be competent reagents for the nucleophilic pathway. The range of activation energies …

Nucleophilic addition010405 organic chemistrySchlenk equilibriumRadicalGrignard reactionGeneral Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysis0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrychemistry.chemical_compoundColloid and Surface ChemistryEnergy profilechemistryNucleophileFluorenoneComputational chemistry[CHIM]Chemical Sciences[CHIM.COOR]Chemical Sciences/Coordination chemistryReactivity (chemistry)ComputingMilieux_MISCELLANEOUS
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New syntheses of condensed heterocycles from isoxazole derivatives. V. Pyrrolo[3,4-b]pyridin-4-ones

1977

Hydrogenolysis with Raney-Nickel or iron powder in acetic acid of 2,5-diphenyl-4-nitro-3-(3,5-R,R-4-isoxazolyl)pyrrolyl ketones, prepared by the Grignard reaction of 2,5-diphenylpyrrole and 3,5-R,R-4-isoxazolecarboxilic acid chlorides followed by nitration, afforded directly the desired 6H-pyrrolo[3,4-b ]pyridin-4-ones.

chemistry.chemical_compoundAcetic acidChemistryHydrogenolysisNitrationOrganic ChemistryGrignard reactionOrganic chemistryIsoxazoleIron powderJournal of Heterocyclic Chemistry
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Über polygermane

1986

Abstract The synthesis of GePh4 and Ge2Ph6 by Grignard reaction in THF or ether/toluene leads to the by-products Ge3Ph8 (up to 11%) and Ge4Ph10 (up to 18%) which is dependant on using an excess of Mg. A quantitative analysis of the resulting products by HPLC and a semipreparative separation by column, flash, and HPL chromatography is described. The crystal structures of Ge3Ph8 (R = 0.075) and Ge4Ph10 · 2C6H6 (R = 0.054) have been determined. Ge4Ph10 has Ci symmetry and both chain conformations are well staggered (49–70° for Ge3Ph8, 53–66° for Ge4Ph10). The GeGe distances and GeGeGe angles are 244 pm and 121° (Ge3Ph8), and 246 pm and 118° (Ge4Ph10).

ChemistryStereochemistryOrganic ChemistryGrignard reactionEtherNuclear magnetic resonance spectroscopyCrystal structureBiochemistryMedicinal chemistryTolueneHigh-performance liquid chromatographyInorganic Chemistrychemistry.chemical_compoundX-ray crystallographyMaterials ChemistryMoleculePhysical and Theoretical ChemistryJournal of Organometallic Chemistry
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Total Synthesis of (-)-C/D-cis-De­hydro-3-O-methyl-estradiols

2015

A convergent synthesis of (–)-dehydro-3-O-methyl-C/D-cis-estradiol started from stereochemically defined substituted optically active 3-(2-arylethyl)-γ-butyrolactones. Regioselective bromination of the anisyl moiety, reductive ring opening of the iodolactone, and protecting-group changes led to a Weinreb amide. This then underwent an intramolecular Grignard reaction closing the B-ring to give a tetralone with defined configuration. Introduction of C-11 through an allyl Grignard addition and subsequent ring-closing metathesis gave a tetrahydro phenanthrene derivative. Oxidation of the side-chain alcohol resulted in the key aldehyde group, and a final samarium-diiodide-mediated reductive D-ri…

chemistry.chemical_classificationAnnulation010405 organic chemistryStereochemistryOrganic ChemistryGrignard reactionEnantioselective synthesisConvergent synthesisTotal synthesis010402 general chemistry01 natural sciencesAldehyde0104 chemical scienceschemistry.chemical_compoundchemistryTetraloneStereoselectivityPhysical and Theoretical ChemistryEuropean Journal of Organic Chemistry
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Synthesis of 2-Prenylated Alkoxylated Benzopyrans by Horner–Wadsworth–Emmons Olefination with PPARα/γ Agonist Activity

2021

[Image: see text] We have synthesized series of 2-prenylated benzopyrans as analogues of the natural polycerasoidol, a dual PPARα/γ agonist with anti-inflammatory effects. The prenylated side chain consists of five or nine carbons with an α-alkoxy-α,β-unsaturated ester moiety. Prenylation was introduced via the Grignard reaction, followed by Johnson–Claisen rearrangement, and the α-alkoxy-α,β-unsaturated ester moiety was introduced by the Horner–Wadsworth–Emmons reaction. Synthetic derivatives showed high efficacy to activate both hPPARα and hPPARγ as dual PPARα/γ agonists. These prenylated benzopyrans emerge as lead compounds potentially useful for preventing cardiometabolic diseases.

AgonistSynthetic derivatives[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistrymedicine.drug_classStereochemistryOrganic ChemistryHorner–Wadsworth–Emmons reactionGrignard reaction01 natural sciencesBiochemistry0104 chemical sciences3. Good health010404 medicinal & biomolecular chemistrychemistry.chemical_compoundchemistryPrenylationDrug DiscoverySide chainmedicinePPARα/γ activityMoietyPrenylated benzopyransHorner-Wadsworth-Emmons reactionBenzopyransACS Medicinal Chemistry Letters
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