Publications

2026 Cobalt-catalyzed deallylation of amines Timothy Newhouse · Tetrahedron Letters · Scholar only — 2026 Collective intelligence for AI-assisted chemical synthesis Timothy Newhouse · Nature · Scholar only 29 2026 Development of Multiple Local Computational Models in Retrosynthetic Analysis: Total Synthesis of (−)-Deoxylimonin Timothy Newhouse · Journal of the American Chemical Society · Scholar only 4 2026 Positional isomerization of N -allyl compounds with a practical low-valent cobalt catalyst system Timothy Newhouse · Organic & Biomolecular Chemistry · Scholar only — 2025 A Convergent Approach to Phragmalin-Type Limonoids: Total Synthesis of Thaigranatin P Timothy Newhouse · Journal of the American Chemical Society · Scholar only 6 2025 Computational Rational Design of Bridgehead Nitrogen Heterocyclic Azobenzene Photoswitches Timothy Newhouse · The Journal of Organic Chemistry · Scholar only 7 2025 EvolvedComplexity as a Total Synthesis Assessment Metric: Strychnine as a Case Study of Scoring Functions Timothy Newhouse · The Journal of Organic Chemistry · Scholar only 1 2025 Ozone-Free Protocol for Hydrodealkenylation via Peroxide Formation and Fragmentation Timothy Newhouse · ChemRxiv · Scholar only 1 2024 Accessing Z‐Enynes via Cobalt‐Catalyzed Propargylic Dehydrogenation Timothy Newhouse · Angewandte Chemie International Edition · Scholar only · needs review 5 2024 A highly selective ESIPT-mechanism-based, ratiometric fluorescent sensor for zinc ions Timothy Newhouse · Dyes and Pigments · Scholar only 25 2024 Comprehensive Mechanistic Analysis of Palladium- and Nickel-Catalyzed α,β-Dehydrogenation of Carbonyls via Organozinc Intermediates Timothy Newhouse · The Journal of Organic Chemistry · Scholar only 1 2024 Enhanced ligand discovery through generative AI and latent-space exploration: application to the mizoroki-heck reaction Timothy Newhouse · ChemRxiv · Scholar only 3 2024 Ligand-Based Principal Component Analysis Followed by Ridge Regression: Application to an Asymmetric Negishi Reaction Timothy Newhouse · ACS Catalysis · Scholar only 17 2024 Site-specific template generative approach for retrosynthetic planning Timothy Newhouse · Nature Communications · Scholar only 34 2024 α,β‐Dehydrogenation Adjacent to Sulfur‐ and Phosphorus‐ Containing Compounds Timothy Newhouse · Angewandte Chemie · Scholar only · needs review 2 2023 Feed-Forward Neural Network for Predicting Enantioselectivity of the Asymmetric Negishi Reaction Timothy Newhouse · ACS Central Science · Scholar only 24 2023 Palladium‐Catalyzed Carbonylative Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates Timothy Newhouse · Angewandte Chemie International Edition · Scholar only · needs review 3 2023 Total Synthesis of (+)-Shearilicine Timothy Newhouse · Journal of the American Chemical Society · Scholar only 22 2022 Computational decoding Timothy Newhouse · Nature Reviews Chemistry · Scholar only 1 2022 Coordination‐Controlled Nickel‐Catalyzed Benzylic Allylation of Unactivated Electron‐Deficient Heterocycles Timothy Newhouse · Angewandte Chemie · Scholar only · needs review 19 2022 Pentosinane, a Post-Translational Modification of Human Proteins with Underappreciated Stability Timothy Newhouse · Journal of the American Chemical Society · Scholar only 11 2022 Synthesis of (–)-melazolide B, a degraded limonoid, from a natural terpene precursor Timothy Newhouse · Tetrahedron Chem · Scholar only 6 2022 Unified total synthesis of the limonoid alkaloids: Strategies for the de novo synthesis of highly substituted pyridine scaffolds Timothy Newhouse · Chem · Scholar only 15 2021 A Neural Network Model Informs Total Synthesis of Clovane Sesquiterpenoids Timothy Newhouse · ChemRxiv · Scholar only 37 2021 Copper(I)‐Catalyzed Asymmetric Conjugate 1,6‐, 1,8‐, and 1,10‐Borylation Timothy Newhouse · Angewandte Chemie International Edition · Scholar only · needs review 17 2021 Dehydrogenative Pd and Ni Catalysis for Total Synthesis Timothy Newhouse · Accounts of Chemical Research · Scholar only 60 2021 Role of Benzylic Deprotonation in Nickel-Catalyzed Benzylic Dehydrogenation Timothy Newhouse · Synlett · Scholar only 3 2021 Thiophene, 2-bromo-5-methyl- Timothy Newhouse · Encyclopedia of Reagents for Organic Synthesis 0 2020 An Invocation for Computational Evaluation of Isomerization Transforms: Cationic Skeletal Reorganizations as a Case Study Timothy Newhouse · Nat. Prod. Rep. 10 2020 Aryl-Nickel-Catalyzed Benzylic Dehydrogenation of Electron-Deficient Heteroarenes Timothy Newhouse · Journal of the American Chemical Society 38 2020 Stereochemical Revision of Xylogranatin F by GIAO and DU8+ NMR Calculations Timothy Newhouse · Chirality 19 2020 Zinc-mediated anionic cyclization of unstabilized ketone enolates with unactivated alkenes Timothy Newhouse · Tetrahedron 7 2019 Allyl-Nickel Catalysis Enables Carbonyl Dehydrogenation and Oxidative Cycloalkenylation of Ketones Timothy Newhouse · Journal of the American Chemical Society 59 2019 Analysis of chain length, substitution patterns, and unsaturation of AM-404 derivatives as 20S proteasome stimulators Timothy Newhouse · Bioorganic & Medicinal Chemistry Letters 37 2019 Computational and Synthetic Investigation of Cationic Rearrangement in the Putative Biosynthesis of Justicane Triterpenoids Timothy Newhouse · Angewandte Chemie International Edition · needs review 21 2019 Convergent Total Synthesis of Principinol D, a Rearranged Kaurane Diterpenoid. Timothy Newhouse · Journal of the American Chemical Society 70 2019 Effects of π-Extension on Pyrrole Hemithioindigo Photoswitches. Timothy Newhouse · Tetrahedron 30 2019 Electrochemical C (sp3)–H fluorination Timothy Newhouse · Synlett · Scholar only 103 2019 Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates. Timothy Newhouse · Journal of the American Chemical Society 42 2019 Oxidation Stepping Stones: α-Oxytriflation Enables Asymmetric Arylation of Amides. Timothy Newhouse · Chem 2 2019 Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion. Timothy Newhouse · Journal of the American Chemical Society 67 2019 Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy Timothy Newhouse · Journal of the American Chemical Society 70 2019 Vinylogous acyl triflates as an entry point to α,β-disubstituted cyclic enones via Suzuki–Miyaura cross-coupling. Timothy Newhouse · Organic & Biomolecular Chemistry 9 2018 Computational chemistry strategies in natural product synthesis. Timothy Newhouse · Chemical Society Reviews 56 2018 Computationally Augmented Retrosynthesis: Total Synthesis of Paspaline A and Emindole PB Timothy Newhouse · ChemRxiv · Scholar only — 2018 Copper-Catalyzed Vinylogous Aerobic Oxidation of Unsaturated Compounds with Air. Timothy Newhouse · Journal of the American Chemical Society 49 2018 Synthesis of Cyclic Enones by Allyl-Palladium-Catalyzed α,β-Dehydrogenation. Timothy Newhouse · Organic Letters 70 2018 Synthetic entry into 3, 5-dimethylorsellinic acid meroterpenoids Timothy Newhouse · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2018 Total synthesis of neurologically active terpenoid natural products Timothy Newhouse · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2018 Total Synthesis of (–)-Xylogranatopyridine B via a Palladium-Catalyzed Oxidative Stannylation of Enones. Timothy Newhouse · Journal of the American Chemical Society 80