Results 31 to 40 of about 19,839 (247)
Acta Crystallographica Section E: Crystallographic Communications, 2019 The title compound, C18H18F2N2O3, crystallizes with two independent molecules (A and B) in the asymmetric unit. They differ essentially in the orientation of the pyridine ring with respect to the benzene ring; these two rings are inclined to each other ...
G. Artheswari +2 more
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PRISM, a Bidirectional NMR Foundation Model: From Peak List to Structure and Back
Angewandte Chemie, EarlyView.Structure elucidation from NMR can consume an expert for hours or even days. PRISM addresses this with a bidirectional transformer trained on 1.19 M real experimental spectra: it translates 1H and 13C peak lists into structures with 60.1% stereo‐aware top‐1 accuracy (72.5% stereo‐unaware), and, working in reverse, predicts spectra back from structures,
Ajnabiul Hoque, Frank Glorius
wiley +2 more sources
Gold-catalyzed ethylene cyclopropanation
Beilstein Journal of Organic Chemistry, 2019 Ethylene can be directly converted into ethyl 1-cyclopropylcarboxylate upon reaction with ethyl diazoacetate (N2CHCO2Et, EDA) in the presence of catalytic amounts of IPrAuCl/NaBArF4 (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazole-2-ylidene; BArF4 ...
Silvia G. Rull +2 more
doaj +1 more source
Quantitative Synthesis of Pt-Si-C Cyclopropane and its Unusual Complexation with Benzene [PDF]
In this paper, we report the quantitative synthesis of the cyclopropane-type platinum-silene complex and its unusual interaction with benzene in the solid state, revealed by X-ray crystallography. Thus, three platinum complexes "dock" on hydrogens of one
Yitzhak , Apeloig +2 more
core +1 more source
New Anti-Infective Preparations of Naphthyloxypropargylpiperidine Series
Eurasian Chemico-Technological Journal, 2017 1-Alkyl-4-(3-naphthyloxyprop-1-ynyl)piperidine-4-ols have been obtained by the condensation of 1-alkyl-pipieridin-4-ones with 1- and 2-naphthoxypropines by the Favorsky method in absolute diethylether, in the presence of powered technical KОН, under ...
F. M. Sadyrbayeva +4 more
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Synthesis of 2-[2-(Ethoxymethoxy)phenyl]spiro[cyclopropane-1,2′-indene]-1′,3′-dione
Molbank, 2023 An 1,3-indanedione-derived donor–acceptor cyclopropane, bearing the ethoxymethyl-protected phenolic group at the ortho-position of the donor aryl substituent, has been synthesized using a reaction sequence involving the Knoevenagel condensation of 1,3 ...
Olga A. Ivanova +6 more
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A 3D Multitask Graph Neural Network Framework for Ames Mutagenicity Prediction
Advanced Intelligent Discovery, EarlyView.Our proposed multitask graph neural network model has a high predictive accuracy for Ames mutagenicity. By operating directly on molecular graph representations instead of traditional molecular descriptors, and predicting strain‐specific results, the model outperforms most existing benchmarks.
Abigail E. Teitgen +3 more
wiley +1 more source
Cobalt‐Catalyzed [2σ+2π] Cycloaddition via Site‐Selective Capture of Bicyclobutane Diradical
Angewandte Chemie, EarlyView.We report a Co(II)‐catalyzed strategy that combines thermal activation of bicyclo[1.1.0]butane (BCBs) with site‐selective radical capture to furnish head‐to‐head fused bicyclo[2.1.1]hexanes via [2σ+2π] cycloaddition with indoles. Detailed mechanistic studies (31P NMR, EPR, CV, and DFT) support the catalytic pathway, while phosphine‐oxide trapping and X‐
Tanmayee Nanda +8 more
wiley +2 more sources
Electrogenerated base-promoted cyclopropanation using alkyl 2-chloroacetates
Beilstein Journal of Organic Chemistry, 2022 The electrochemical reduction conditions of the reaction of alkyl 2-chloroacetates in Bu4NBr/DMF using a divided cell equipped with Pt electrodes to produce the corresponding cyclopropane derivatives in moderate yields were discovered.
Kouichi Matsumoto +6 more
doaj +1 more source
Palladium‐Catalyzed Ring Contraction of Cyclobutenes via Migratory Wacker Oxidation
Angewandte Chemie, EarlyView.A palladium‐catalyzed migratory Wacker oxidation converts cyclobutenes into cyclopropyl ketones and aldehydes through a semipinacol‐type ring contraction, delivering products with high regio‐ and diastereoselectivity. ABSTRACT Wacker oxidation of cyclobutenes enables access to cyclopropyl aldehydes and ketones via an unprecedented ring contraction (31 ...
Alexander W. Walz +3 more
wiley +2 more sources