- A Combined Experimental–Theoretical Study on Diels-Alder Reaction with Bio-Based Furfural: Towards Renewable Aromatics
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The synthesis of relevant renewable aromatics from bio-based furfural derivatives and cheap alkenes is carried out by using a Diels-Alder/aromatization sequence. The prediction and the control of the ortho/meta selectivity in the Diels-Alder step is an important issue to pave the way to a wide range of renewable aromatics, but it remains a challenging task. A combined experimental-theoretical approach reveals that, as a general trend, ortho and meta cycloadducts are the kinetic and thermodynamic products, respectively. The nature of substituents, both on the dienes and dienophiles, significantly impacts the feasibility of the reaction, through a modulation on the nucleo- and electrophilicity of the reagents, as well as the ortho/meta ratio. We show that the ortho/meta selectivity at the reaction equilibrium stems from a subtle interplay between charge interactions, favoring the ortho products, and steric interactions, favoring the meta isomers. This work also points towards a path to optimize the aromatization step.
- van Scodeller,De Oliveira Vigier, Karine,Muller, Eric,Ma, Changru,Guégan, Frédéric,Wischert, Raphael,Jér?me, Fran?ois
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p. 313 - 323
(2020/10/19)
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- Muscarinic receptor m3 antagonist/beta2-adrenergic receptor stimulant bridge ring derivatives
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The invention relates to bridged ring compounds shown in a general formula (III) and having dual activities of muscarinic receptor M3 antagonism and beta2-adrenergic receptor stimulation, or stereoisomers, hydrates, metabolites, solvates, pharmaceutically acceptable salts, eutectic crystals or prodrugs thereof. The invention also relates to a preparation method and application of the compounds inpreparation of drugs for treating airway obstruction diseases. Each substituent in the general formula (III) is as defined in the specification.
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Paragraph 0747; 0750-0756
(2020/09/09)
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- COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY
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Compounds of formula (I) described herein act both as muscarinic receptor antagonists and beta2 adrenergic receptor agonists and are useful for the prevention and/or treatment of broncho-obstructive or inflammatory diseases.
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Page/Page column
(2014/06/24)
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- COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY
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The present invention relates to compounds acting both as muscarinic receptor antagonists and beta2 adrenergic receptor agonists, to processes for their preparation, to compositions comprising them, to therapeutic uses and combinations with other pharmaceutical active ingredients.
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Page/Page column 63; 64
(2014/06/24)
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- 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS
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Provided are 5-membered heterocycle-based p38 kinase inhibitors. Further provided are pyrazole and imidazole-based p38 kinase, including p38α and p38β kinase, inhibitors. Pharmaceutical compositions containing the compounds are also provided. Methods of u
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Page/Page column 69; 70
(2010/02/10)
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- Triazole derivatives
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The present invention relates to triazole and imidazole derivatives of formula I and to their pharmaceutically acceptable acid addition salts. These compounds are NMDA receptor subtype blockers and are useful for the treatment of diseases related to the NMDA receptor.
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