A5083443794- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Catalytic C–H Functionalization Methods
- Asymmetric Synthesis and Catalysis
- Synthetic Organic Chemistry Methods
- Radical Photochemical Reactions
- Chemistry and Chemical Engineering
- Catalytic Cross-Coupling Reactions
- Catalytic Alkyne Reactions
- Chemical Synthesis and Analysis
- Oxidative Organic Chemistry Reactions
- Machine Learning in Materials Science
- Computational Drug Discovery Methods
- Asymmetric Hydrogenation and Catalysis
- Synthesis and Catalytic Reactions
- Chemical Synthesis and Reactions
- Organophosphorus compounds synthesis
- Phosphorus compounds and reactions
- Sulfur-Based Synthesis Techniques
- Synthesis and Biological Activity
- Enzyme Catalysis and Immobilization
- Synthesis and Reactivity of Heterocycles
- Chemical synthesis and alkaloids
- Synthesis and pharmacology of benzodiazepine derivatives
- Cyclopropane Reaction Mechanisms
Acellera (Spain)
2023
University of Oxford
2019
Oxford Research Group
2018-2019
Science Oxford
2018
Queen Mary University of London
2013-2015
GlaxoSmithKline (United Kingdom)
2013-2014
GlaxoSmithKline (India)
2014
North Hertfordshire College
2014
Universitat de Barcelona
2010-2013
Institute for Research in Biomedicine
2010-2011
Photoredox catalysis has transformed the landscape of radical-based synthetic chemistry. Additions radicals generated through photoredox to carbon–carbon π-bonds are well-established; however, this approach yet be applied functionalization σ-bonds. Here, we report first such use promote addition organic halides carbocycle [1.1.1]propellane; product bicyclo[1.1.1]pentanes (BCPs) motifs high importance in pharmaceutical industry and materials Showing broad substrate scope functional group...
A wide range of halogenated bicyclo[1.1.1]pentanes are accessed by functional group tolerant radical ring-opening tricyclo[1.1.1.0<sup>1,3</sup>]pentane, using triethylborane as initiator.
A general, cost-effective and sustainable replacement for silver in palladium catalysed direct arylations of C(sp<sup>2</sup>)–H C(sp<sup>3</sup>)–H bonds.
A multicatalytic, asymmetric cascade reaction sequence of α,β-unsaturated aldehydes with alkyne-tethered nucleophiles has been developed. Organocatalytic iminium–enamine catalysis combined Lewis acid alkyne activation gave cyclopentene carbaldehyde products in good yields and excellent stereoselectivities (see scheme). To highlight the potential sequence, a key structure for preparation fusicoccane diterpenoid analogue was synthesized. Detailed facts importance to specialist readers are...
ortho-Arylation of ortho-substituted benzoic acids is a challenging process due to the tendency reaction products toward Pd-catalyzed protodecarboxylation. A simple method for preventing decarboxylation in sterically hindered reported. The described represents reliable and broadly applicable entry 2-aryl-6-substituted acids.
Abstract A cooperative multicatalytic cascade sequence involving isocyanoacetates and α,β‐unsaturated ketones is described for the enantioselective synthesis of 2,3‐dihydropyrroles. The key to promoting multistep asymmetric reaction combination cinchona alkaloid derived organocatalysts with silver nitrate. Merging both organic metal catalytic cycles enables formation two C–C bonds generation a stereogenic center in single process. study has also shown that bifunctional role organocatalyst...
A two-catalyst system consisting of different oxidation states palladium is described, which mediates the isomerization alkynyl epoxides to furans. In a process termed "dual state tandem catalysis", multistep pathway delineated in metal and ligands play independent mechanistic roles, but which, combination, enable use milder reaction conditions lower catalyst loadings than single isolation. present context, this rare example homobimetallic catalytic transformation provides mild, scalable,...
Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide comprehensive overview of various ML methods introduced this purpose recent years. We review wide range properties, including binding affinities, solubility, and ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity). discuss existing popular datasets molecular descriptors embeddings, such as chemical fingerprints graph-based neural networks. highlight also...
Readily available chiral primary 1,2-aminoalcohols and diamines have been explored as organocatalysts for a domino Michael–aldol reaction. Their application in this organocascade process afforded cyclohexanone A with high levels of reactivity (up to 91% yield) stereoselectivity (>97 : 3 d.r., up 93% ee). Depending on the acid cocatalyst different species (cyclic secondary aminesvs. acyclic amines) might catalyse process. In order shed light catalytic activation, several experiments were...
Bicyclic α-iminophosphonates were prepared via the first diastereoselective silver catalyzed [3 + 2] cycloaddition reaction of diethyl isocyanomethylphosphonate and diversely N-substituted maleimides. The reduction resulting imine by catalytic hydrogenation led to cyclic α-aminophosphonates, which are α-aminoester surrogates. relative stereochemistry adducts was confirmed X-ray crystallographic analysis 4. diastereoselectivity rationalised theoretical studies.
The double cyclocondensation of symmetric pyridyl bis(oxoacids) 2b and 3b with (R)-phenylglycinol stereoselectively gave access to bis-phenylglycinol-derived oxazolopyrrolidine 9 oxazolopiperidone 10, respectively. Application the stereocontrolled reaction phenyl bis-γ-oxoacid 4b provided 11, which was converted corresponding enantiopure di(pyrrolidinyl)benzene 22. absolute configuration new stereogenic centers generated in key cyclocondenstion step unambiguously established by X-ray...
Abstract The presence of potassium carbonate prevents decarboxylation in Pd‐catalyzed ortho‐arylations sterically hindered benzoic acids, making 2‐aryl‐6‐substituted acids easily accessible.
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at glance that was extracted from about 100 leading journals. To access of an article which published elsewhere, please select “Full Text” option. The original trackable via the “References”
<p>The use of visible light to activate transition metal catalysts towards redox processes has transformed the way organic molecules can be constructed. Promotion an electron excited state enables generation radicals through transfer or from complex, with resulting primed for reactions such as addition carbon–carbon pi bonds. Despite advances in photoredox catalysis which have led discovery numerous methods bond construction, this mild approach free not been applied functionalisation...
Abstract A new method for the Pd‐catalyzed C—H coupling of a variety classes substrates such as benzoic acids, benzamides, 2‐phenylpyridines, benzoquinolines, indoles, thiophenes, polyfluorobenzenes, and 8‐methylquinolines with diverse substituted iodoarenes under silver‐free conditions is developed.
Abstract The reaction proceeds without irradiation or catalysis with complete retention of configuration.
Abstract The title reaction represents a new method for the easy and rapid construction of enantioenriched 2,3‐dihydropyrroles from α,β‐unsaturated ketones.
Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide comprehensive overview of various ML methods introduced this purpose recent years. We review wide range properties, including binding affinities, solubility, and ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity). discuss existing popular datasets molecular descriptors embeddings, such as chemical fingerprints graph-based neural networks. highlight also...