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Catalysis of a Diels–Alder Reaction between Azachalcones and Cyclopentadiene by a Recyclable Copper(II)-PEIP Metal-Organic Framework.
Publication Type: Academic Journal
Source(s): Materials (1996-1944). Aug2023, Vol. 16 Issue 15, p5298. 13p.
Abstract: Metal-organic frameworks (MOFs) have attracted considerable interest as emerging heterogeneous catalysts for organic transformations of synthetic utility. Herein, a Lewis-acidic MOF, {[Cu3(PEIP)2(5-NH2-mBDC)(DMF)]·7DMF}∞, denoted as Cu(ΙΙ)-PEIP, has be...
Understanding the Molecular Mechanism of Thermal and LA-Catalysed Diels–Alder Reactions between Cyclopentadiene and Isopropyl 3-Nitroprop-2-Enate.
Publication Type: Academic Journal
Source(s): Molecules. Jul2023, Vol. 28 Issue 14, p5289. 13p.
Abstract: The molecular mechanism of the Diels–Alder reaction with the participation of cyclopentadiene and isopropyl 3-nitroprop-2-enate was examined based on wb97xd/6-311+G(d) (PCM) quantum chemical calculations. It was found that the type of mechanism for the...
Sequential Esterification—Diels-Alder Reactions for Improving Pine Rosin Durability within Road Marking Paint.
Publication Type: Academic Journal
Source(s): Molecules. Jul2023, Vol. 28 Issue 13, p5236. 13p.
Abstract: Pine rosin, which is derived from Pinus merkusii resin, a natural product, has demonstrated potential as a road marking binder. Although pine rosin has an excellent shinning property, it has some limitations, such as instability and color change. To ta...
New Chemistry of Chiral 1,3-Dioxolan-4-Ones.
Publication Type: Academic Journal
Source(s): Molecules. May2023, Vol. 28 Issue 9, p3845. 18p.
Abstract: (2S,5S)-5-Phenyl-2-t-butyl-1,3-dioxolan-4-one, readily derived from mandelic acid, undergoes the Michael addition to butenolide and 4-methoxy-β-nitrostyrene with the absolute configuration of the products confirmed by X-ray diffraction in each case. In...
Exact decompositions of the total KS-DFT exchange–correlation energy into one- and two-center terms.
Publication Type: Academic Journal
Source(s): Journal of Chemical Physics. 6/21/2023, Vol. 158 Issue 23, p1-13. 13p.
Abstract: In the so-called Interacting Quantum Atoms (IQA) approach, the molecular energy is numerically decomposed as a sum of atomic and diatomic contributions. While proper formulations have been put forward for both Hartree–Fock and post-Hartree–Fock wavefun...
Synthesis of Pentacycloundecane (PCUD) Based Spiro-Pyrano-Cage Framework via Ring-Closing Metathesis.
Publication Type: Academic Journal
Source(s): Molbank. Mar2023, Vol. 2023 Issue 1, pM1567. 7p.
Abstract: Here, we demonstrate a short synthetic route to pyrano cage systems containing pentacycloundecane units by employing ring-closing metathesis (RCM) as a key step. These cage systems were constructed starting with readily available starting materials by ...
[4+2]-Cycloaddition to 5-Methylidene-Hydantoins and 5-Methylidene-2-Thiohydantoins in the Synthesis of Spiro-2-Chalcogenimidazolones.
Publication Type: Academic Journal
Source(s): International Journal of Molecular Sciences. Mar2023, Vol. 24 Issue 5, p5037. 17p.
Abstract: Novel hydantion and thiohydantoin-based spiro-compounds were prepared via theDiels–Alder reactions between 5-methylidene-hydantoins or 5-methylidene-2-thiohydantoins and 1,3-dienes (cyclopentadiene, cyclohexadiene, 2,3-dimethylbutadiene, isoprene). It ...
Recent Advances in Hydrogels via Diels–Alder Crosslinking: Design and Applications.
Publication Type: Academic Journal
Source(s): Gels (2310-2861). Feb2023, Vol. 9 Issue 2, p102. 12p.
Abstract: The Diels–Alder (DA) reaction is a promising tool for obtaining covalently crosslinked hydrogels due to its reaction bioorthogonality, the absence of by-products, and the application of mild conditions without a catalyst. The resulting hydrogels are in...
CO2-Responsive Smart Foams Stabilized by an Extremely Rigid Bio-Based Surfactant.
Publication Type: Academic Journal
Source(s): Journal of Renewable Materials. Feb2023, Vol. 11 Issue 2, p523-538. 16p.
Abstract: Environment friendly and intelligent surfactants have attracted great attention in recent years. A bio-based CO2 responsive surfactant rosin acid dimaleimide choline (R-BMI-C) with an extremely rigid skeleton was prepared using rosin and choline as raw...
Bond formation insights into the Diels–Alder reaction: A bond perception and self-interaction perspective.
Publication Type: Academic Journal
Source(s): Journal of Chemical Physics. 4/28/2023, Vol. 158 Issue 16, p1-9. 9p.
Abstract: The behavior of electrons during bond formation and breaking cannot commonly be accessed from experiments. Thus, bond perception is often based on chemical intuition or rule-based algorithms. Utilizing computational chemistry methods, we present intrin...