Decachlorohexa-1,5-diene [PDF]
Acta Crystallographica Section E, 2012 The title compound, C6Cl10, cystallizes in a nearly C2-symmetrical gauche conformation. Both trichlorovinyl groups are nearly planar [Cl—C—C—Cl torsion angles = −178.47 (12) and −179.93& ...
Dieter Schollmeyer, Heiner Detert
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Reactivity and Stereoselectivity in the Inverse-Electron-Demand Diels–Alder Reaction of 1-Aza-1,3-Butadiene [PDF]
MoleculesThe reactivity and stereoselectivity in the inverse-electron-demand Diels–Alder reaction between 4-methoxycarbonyl-N-(phenylsulfonyl)-1-aza-1,3-butadiene and methoxyethene was examined using density functional theory (DFT) calculations at the M06-2X ...
Ken Sakata, Yui Go, Takeshi Yoshikawa
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Hetero-Diels–Alder Ligation (HDAL) of C20 Nanocage and Anti-Tumor Oxoindoline in Gas Phase and Solvent Phase, Using Density Functional Theory (DFT) [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2023 In this computational research, the solvent effect is probed on HDAL of C20 with I to yield Ia compound. So, in going from the gas phase to non-polar, and in turn to the polar solvent, a good consistency appears between the dielectric constant of the ...
Mohammad Poor Heravi +6 more
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Molecules, 2021 The copolymerization of ethylene‒diene conjugates (butadiene (BD), isoprene (IP) and nonconjugates (5-ethylidene-2-norbornene (ENB), vinyl norbornene VNB, 4-vinylcyclohexene (VCH) and 1, 4-hexadiene (HD)), and terpolymerization of ethylene-propylene ...
Amjad Ali +9 more
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Molecules, 2023 A series of seven palladium-containing composites, i.e., four Pd/C and three Pd(OH)2/C (Pearlman’s catalysts), was prepared using modified common approaches to deposition of Pd or hydrated PdO on charcoal.
Vladyslav V. Subotin +10 more
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Molecules, 2023 Radical reactions are powerful in creating carbon–carbon and carbon–heteroatom bonds. Designing one-pot radical reactions with cascade transformations to assemble the cyclic skeletons with two new functional groups is both synthetically and operationally
Sanjun Zhi, Hongjun Yao, Wei Zhang
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Boron and Silicon-Substituted 1,3-Dienes and Dienophiles and Their Use in Diels-Alder Reactions
Molecules, 2020 Boron and silicon-substituted 1,3-dienes and boron and silicon-substituted alkenes and alkynes have been known for years and the last 10 years have seen a number of new reports of their preparation and use in Diels-Alder reactions.
Mark E. Welker
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Research on Soft-Sensing Methods for Measuring Diene Yields Using Deep Belief Networks
International Journal of Chemical Engineering, 2022 As an important raw material for the chemical industry, ethylene is one of the surest indicators that measure the development level of a country. The diene yield is an important production quality index parameter of ethylene units, and it is very ...
Xiangwu Deng, Zhiping Peng, Delong Cui
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Conceptual DFT study based on the characterization of the local electrophilicity and nucleophilicity for intramolecular Diels-Alder reaction of the trans isomers of 4-[(4E)-4,6-heptadien-1-yl]-2-cyclohepten-1-one [PDF]
Journal of the Serbian Chemical SocietyOne of the most powerful methods for the rapid synthesis and formation of complex polycyclic molecules with biological interest involves the use of Diels–Alder (DA) reaction especially its intramolecular variant.
Temer Imane +2 more
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Formation of bridged bicycloalkenes via ring closing metathesis [PDF]
, 1998 Ring closing metathesis may be used in the formation of small ring bicycloalkenes from monocyclic diene ...
Grubbs, Robert H., Morehead, Andrew, Jr.
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