John A. Murphy
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View article: A Convergent Radical Cascade for the Synthesis of Azaindanes
A Convergent Radical Cascade for the Synthesis of Azaindanes Open
The azaindane motif is present in a number of drug candidates and combines the benefits of both a high sp 3 ‐fraction and an heteroaromatic ring. However, only a limited number of efficient approaches for the elaboration of this motif have…
View article: Monitoring Radical Intermediates in Photoactivated Palladium-Catalyzed Coupling of Aryl Halides to Arenes by an Aryl Radical Assay
Monitoring Radical Intermediates in Photoactivated Palladium-Catalyzed Coupling of Aryl Halides to Arenes by an Aryl Radical Assay Open
An aryl radical assay is used to provide information about the formation of aryl radicals from aryl halides in coupling reactions to arenes in the presence of palladium sources and under LED irradiation (λ = 456 nm). The assay uses 2-halo-…
View article: Monitoring Radical Intermediates in Photoactivated Palladium-Catalysed Coupling of Aryl Halides to Arenes by an Aryl Radical Assay
Monitoring Radical Intermediates in Photoactivated Palladium-Catalysed Coupling of Aryl Halides to Arenes by an Aryl Radical Assay Open
An aryl radical assay is used to provide information about the formation of aryl radicals from aryl halides in coupling reactions to arenes in the presence of palladium sources and under LED irradiation (lambda = 456 nm). The assay uses 2-…
View article: Methylated Arene Products Establish Ground State Electron Transfer from KOtBu in the Reductive Activation of Aryl Halides
Methylated Arene Products Establish Ground State Electron Transfer from KOtBu in the Reductive Activation of Aryl Halides Open
In the presence of appropriate aryl halides, electron transfer occurs from KOtBu to form tert-butoxyl radicals that can fragment into methyl radicals. In support of electron transfer, we report the first observation of methylated arene pro…
View article: Direct, Selective α-Aryloxyalkyl Radical Cyanation and Allylation of Aryl Alkyl Ethers
Direct, Selective α-Aryloxyalkyl Radical Cyanation and Allylation of Aryl Alkyl Ethers Open
We report the site-selective α-aryloxyalkyl C-H cyanation and allylation of aryl alkyl ethers using an acridinium photocatalyst with phosphate base under LED irradiation (456 nm). Oxidation of the aryl alkyl ether to its corresponding radi…
View article: Estudio de Resiliencia de la Red Electrica de Puerto Rico y Transiciones a Energia 100% Renovable (PR100): Informe resumido [Spanish Translation of Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) (Summary Report)]
Estudio de Resiliencia de la Red Electrica de Puerto Rico y Transiciones a Energia 100% Renovable (PR100): Informe resumido [Spanish Translation of Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) (Summary Report)] Open
The Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) is a comprehensive analysis based on extensive stakeholder input of possible pathways for Puerto Rico to achieve its goal of 100% renewable energy by 20…
View article: Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) (Summary Report)
Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) (Summary Report) Open
The Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) is a comprehensive analysis based on extensive stakeholder input of possible pathways for Puerto Rico to achieve its goal of 100% renewable energy by 20…
View article: Ground State Generation and Cyclization of Aminium Radicals in the Formation of Tetrahydroquinolines
Ground State Generation and Cyclization of Aminium Radicals in the Formation of Tetrahydroquinolines Open
This paper reports the first examples of ground state radical-mediated intramolecular C-H amination to afford 1-methyl-1,2,3,4-tetrahydroquinolines from N-2,4-dinitrophenoxy derivatives of arylpropylamines. Whereas the photoactivation of N…
View article: Reductive activation of arenes by potassium metal with potassium salts
Reductive activation of arenes by potassium metal with potassium salts Open
Reaction of benzene with potassium metal + potassium salts leads to formation of biphenyl and dihydrobiphenyls via dimerization of arene radical anions. Sodium salts are much less effective.
View article: An assay for aryl radicals using BHAS coupling
An assay for aryl radicals using BHAS coupling Open
An assay for aryl radicals, formed under basic conditions, emerges from the anomalous BHAS chemistry of substrate 7.
View article: Radical coupling of aryl halides to arenes facilitated by Ni(COD)(DQ) and other nickel sources
Radical coupling of aryl halides to arenes facilitated by Ni(COD)(DQ) and other nickel sources Open
Evidence is presented for coupling through an aryl radical mechanism for a number of nickel sources.
View article: CCDC 2289894: Experimental Crystal Structure Determination
CCDC 2289894: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: A Hierarchy of Ligands Controls Formation and Reaction of Aryl Radicals in Pd-Catalyzed Ground-State Base-Promoted Coupling Reactions
A Hierarchy of Ligands Controls Formation and Reaction of Aryl Radicals in Pd-Catalyzed Ground-State Base-Promoted Coupling Reactions Open
Palladium salts and complexes were tested separately and in the presence of added ligands as potential sources of aryl radicals in ground-state coupling reactions of aryl halide with arenes under basic conditions (KOtBu). Our recently deve…
View article: Organometallic Bridge Diversification of Bicyclo[1.1.1]pentanes
Organometallic Bridge Diversification of Bicyclo[1.1.1]pentanes Open
Bicyclo[1.1.1]pentane (BCP) derivatives have attracted significant recent interest in drug discovery as alkyne, tert-butyl and arene bioisosteres, where their incorporation is frequently associated with increased compound solubility and me…
View article: Recent Advances in C–H Functionalisation through Indirect Hydrogen Atom Transfer
Recent Advances in C–H Functionalisation through Indirect Hydrogen Atom Transfer Open
The functionalisation of C–H bonds has been an enormous achievement in synthetic methodology, enabling new retrosynthetic disconnections and affording simple synthetic equivalents for synthons. Hydrogen atom transfer (HAT) is a key method …
View article: BHAS Coupling of Aryl Halides to Arenes Facilitated by Nickel Complexes
BHAS Coupling of Aryl Halides to Arenes Facilitated by Nickel Complexes Open
Aryl halides are efficiently coupled to benzene using air-stable Ni(COD)(DQ) (COD = 1,5-cyclooctadiene, DQ = duroquinone) and KOtBu, without additional ligands. Mechanistic evidence suggests that Ni(COD)(DQ) and KOtBu act as an initiation …
View article: A Hierarchy of Ligands Controls Formation of Aryl Radicals in Pd-Catalyzed Ground State Reactions
A Hierarchy of Ligands Controls Formation of Aryl Radicals in Pd-Catalyzed Ground State Reactions Open
Palladium salts and complexes were tested separately and in the presence of added ligands, as potential sources of aryl radicals in ground state coupling reactions of aryl halide with arenes under basic conditions (KOtBu). Our recently dev…
View article: An Assay for Aryl Radicals Using BHAS Coupling
An Assay for Aryl Radicals Using BHAS Coupling Open
Aryl radicals are intermediates in many reactions, but determining their presence unambiguously is often challenging. As we recently reported, reaction of 2-iodo-1,3-dimethylbenzene 7 in benzene with KOtBu and a suitable organic additive, …
View article: PR100 One-Year Progress Summary Report: Preliminary Modeling Results and High-Resolution Solar and Wind Data Sets
PR100 One-Year Progress Summary Report: Preliminary Modeling Results and High-Resolution Solar and Wind Data Sets Open
The Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) is a 2-year study by the U.S. Department of Energy's (DOE's) Grid Deployment Office and six national laboratories to comprehensively analyze stakeholder…
View article: Bridge Heteroarylation of Bicyclo[1.1.1]pentane Derivatives
Bridge Heteroarylation of Bicyclo[1.1.1]pentane Derivatives Open
Herein we report the decarboxylative Minisci heteroarylation of bicyclo[1.1.1]pentane (BCP) derivatives at the C2 (bridge) position. The developed process directly couples free BCP C2-carboxylic acids with non-prefunctionalised heteroarene…
View article: A study of the reactivity of cyclic aminomethylammonium mannich salts
A study of the reactivity of cyclic aminomethylammonium mannich salts Open
A novel method for the preparation of aminoalkylaminomethyl products was developed utilising novel Mannich-type salts featuring a R2NCH2NR3+ moiety. This methodology showed good nucleophile scope and was successfully employed in reactions …
View article: RAISE: Robotics & AI to improve STEM and social skills for elementary school students
RAISE: Robotics & AI to improve STEM and social skills for elementary school students Open
The authors present the design and implementation of an exploratory virtual learning environment that assists children with autism (ASD) in learning science, technology, engineering, and mathematics (STEM) skills along with improving socia…
View article: Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) (Six-Month Progress Update) [Slides]
Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) (Six-Month Progress Update) [Slides] Open
Puerto Rico has committed to meeting its electricity needs with 100% renewable energy by 2050, along with realizing interim goals of 40% by 2025, 60% by 2040, the phase-out of coal-fired generation by 2028, and a 30% improvement in energy …
View article: Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100): Six-Month Progress Update [Slides]
Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100): Six-Month Progress Update [Slides] Open
Puerto Rico has committed to meeting its electricity needs with 100% renewable energy by 2050, along with realizing interim goals of 40% by 2025, 60% by 2040, the phase-out of coal-fired generation by 2028, and a 30% improvement in energy …
View article: QUBIC I: Overview and science program
QUBIC I: Overview and science program Open
The Q & U Bolometric Interferometer for Cosmology (QUBIC) is a novel kind of polarimeter optimized for the measurement of the B-mode polarization of the Cosmic Microwave Background (CMB), which is one of the major challenges of observation…
View article: Nitrogen-Centered Radicals in Functionalization of sp<sup>2</sup> Systems: Generation, Reactivity, and Applications in Synthesis
Nitrogen-Centered Radicals in Functionalization of sp<sup>2</sup> Systems: Generation, Reactivity, and Applications in Synthesis Open
The chemistry of nitrogen-centered radicals (NCRs) has plentiful applications in organic synthesis, and they continue to expand as our understanding of these reactive species increases. The utility of these reactive intermediates is demons…
View article: Associations Between Self-Reported Sleep, Wellbeing and Physical Activity in Irish Adolescents
Associations Between Self-Reported Sleep, Wellbeing and Physical Activity in Irish Adolescents Open
Growing evidence suggests sleep plays an important role in the development of healthy adolescents, with increased interest in the associations between sleep and mental health. Higher duration and quality of sleep has been suggested as a me…