Results 111 to 120 of about 41,109 (281)

5-Benzoyl-N,4-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxamide

Acta Crystallographica Section E, 2009
The title compound, C23H19N3O2, was synthesized by the 1,3-dipolar cycloaddition reaction of N-phenyl-α-diazoacetamide and chalcone. In the molecule, the pyrazoline ring assumes an envelope conformation.
Long He
doaj   +1 more source

Global hybrid multiconfiguration pair-density functional theory [PDF]

arXiv, 2019
A global hybrid extension of variational two-electron reduced-density matrix (v2RDM)-driven multiconfiguration pair-density functional theory (MCPDFT) is developed. Using a linear decomposition of the electron-electron repulsion term, a fraction {\lambda} of the nonlocal exchange interaction, obtained from v2RDM-driven complete active-space self ...
arxiv  

Clathrate Structure of Fullerite C60 [PDF]

arXiv, 2021
Investigations of clathrate structures have gained a new impetus with the recent discovery of room-temperature superconductivity in metal hydrides. Here we report the finding, through density functional theory calculations, of a clathrate phase in the fullerite C60 system.
arxiv  

The hexameric resorcinarene capsule as an artificial enzyme: ruling the regio and stereochemistry of a 1,3-dipolar cycloaddition between nitrones and unsaturated aldehydes

, 2018
When a 1,3-dipolar cycloaddition between nitrones and α,β-unsaturated aldehydes catalyzed by L-proline derivatives takes place inside the hexameric resorcin[4]arene capsule the products are obtained in higher yields and selectivity, with respect to the ...
Pellegrino La Manna, M. D. Rosa, Carmen Talotta, C. Gaeta, A. Soriente, Giuseppe Floresta, A. Rescifina, P. Neri   +7 more
semanticscholar   +1 more source

Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes

ACS Catalysis, 2018
An organocatalytic strategy for the synthesis of tetrasubstituted pyrrolidines with monoactivated azomethine ylides in high enantiomeric excess and excellent exo/endo selectivity is presented.
F. Esteban, Wioleta Cieślik, E. Arpa, Andrea Guerrero-Corella, S. Dı́az-Tendero, J. Perles, Jose A. Fernández‐Salas, A. Fraile, J. Alemán   +8 more
semanticscholar   +1 more source

Derivatizing immobilization methods for TEMPO radicals in metal–organic frameworks: Toward efficient aerobic oxidation and sequential reactions

Bulletin of the Korean Chemical Society, EarlyView.
Covalent attachment of TEMPO radicals to Zr‐based metal–organic frameworks (MOFs) was achieved by diversifying linker structures, enabling efficient aerobic oxidation of secondary alcohols. The modified MOFs facilitated sequential reactions, including isoxazole synthesis via aerobic oxidation and cycloaddition, demonstrating their versatility and ...
Seungheon Cha, Daeyeon Lee, Jiwon Kang, Jonghyeon Lee, Seongwoo Kim, Houng Kang, Soyoung Park, Min Kim   +7 more
wiley   +1 more source

Some perspectives on the design and discovery of new multi-component reactions [PDF]

, 2001
This thesis is divided into three parts. Part one presents an overview of multi-component reactions, contrasting isocyanide based and non-isocyanide based multi-component reactions, and gives examples of the most important examples of these types of ...
Kern, Oliver Thomas
core  

Design and Evaluation of Bivalent K‐Ras Inhibitors That Target the CAAX Binding Site and the Acidic Surface of Farnesyltransferase and Geranylgeranyltransferase I

Chemistry – A European Journal, EarlyView.
Chemical inhibition of K‐Ras posttranslational prenylation represents a promising strategy against aggressive cancers. A structure‐based design produces piperidine‐based peptidomimetics conjugated to cationic modules, effectively inhibiting FTase and GGTase I at single‐digit nanomolar concentrations.
Naomi Horiuchi, Rania Omer, Fumitoshi Sugino, Naomi Ogino, Yoshihisa Inoue, Kazi Aslamuzzaman, Takeyuki Suzuki, Said M. Sebti, Junko Ohkanda   +8 more
wiley   +1 more source

ETUDE THEORIQUE DES REACTIONS DE CYCLOADDITON DIPOLAIRES-1,3 [PDF]

, 2014
Le travail présenté dans cette thèse a pour objectif l’étude théorique des réactions de cycloaddition dipolaires-1,3 suivantes : i) Cycloaddition dipolaire-1,3 du diazométhane avec l’acrylate de méthyle afin de comprendre le mécanisme et la ...
KAZI-TANI-nee-BENCHOUK, Wafaa
core  

Kinetic Resolution of Alkylidene Norcamphors via a Ligand-Controlled Umpolung-Type 1,3-Dipolar Cycloaddition

iScience, 2019
Summary: Development of a general catalytic and highly efficient method utilizing readily available precursors for the regio- and stereoselective construction of bioactive natural-product-inspired spiro architectures remains a formidable challenge in ...
Chong Shen, Yuhong Yang, Liang Wei, Wu-Wei Dong, Lung Wa Chung, Chun-Jiang Wang   +5 more
doaj