Newhouse, Timothy - Yale University - Department of Chemistry

个人简介

Appointments Associate Professor of Chemistry, Member Interdepartmental Neuroscience Program Yale University, New Haven, CT, 2018-present Assistant Professor of Chemistry, Member Interdepartmental Neuroscience Program Yale University, New Haven, CT, 2013-2018 Education Postdoctoral Research Fellow, Harvard University, Cambridge, MA, 2010-13 Enantioselective organometallic methods development with E.J. Corey Ph.D., Organic Chemistry, The Scripps Research Institute, La Jolla, CA, 2006-10 Natural product synthesis with Phil S. Baran Reaction mechanism investigation with Donna G. Blackmond B.A., Chemistry with Honors, summa cum laude, Colby College, Waterville, ME, 2001-05 Study of reactive intermediates with Dasan M. Thamattoor

研究领域

Despite the power of modern organic chemistry, efficient synthesis of complex molecular scaffolds remains an unmet challenge. Their intricate ring systems and stereochemical arrays require too many synthetic operations to rapidly produce libraries of analogs. New technological approaches are needed to forge their varied bonds to provide scalable access to libraries of these molecular architectures. Our group develops computational strategies and synthetic methodologies to achieve these goals. Modern computational tools offer powerful new ways to analyze a wide variety of chemical reactions. Numerous subfields have taken advantage of these tools to rationalize chemical outcomes and understand the fundamental forces that drive reactivity. Researchers performing multistep synthesis of small molecules have commonly used computational chemistry retrospectively to understand previously observed outcomes, which subsequently inform decision making. Instead, our group integrates quantum chemical calculations into the design stages of research in order to prioritize experimentation and minimize time-consuming and expensive empirical evaluation. We are applying numerous computational techniques to assist in the synthesis of structurally demanding small molecules that may have future applications to neuroscience. The development of rigorous computational strategies and general construction reactions will have broad utility in a range of fields that rely on the synthesis of small molecules and functional materials. One particular area that the Newhouse group focuses on is the total chemical synthesis of carbocyclic frameworks that are known to elicit powerful neurological effects. Through strategic collaborations these substances are used as chemical probes to study fundamental aspects of neurological function and address neurological dysfunction.

近期论文

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Edward A. deRamon, Venkata R. Sabbasani, Matthew D. Streeter, Yannan Liu, Timothy R. Newhouse, David M. McDonald, David A. Spiegel*. “Pentosinane, a Post-Translational Modification of Human Proteins with Underappreciated Stability” J. Am. Chem. Soc. 2022, DOI: 10.1021/jacs.2c09626 Alexandra K. Bodnar, Suzanne M. Szewczyk, Yang Sun, Yifeng Chen, Anson X. Huang, Timothy R. Newhouse. “A Comparative Mechanistic Analysis of Palladium- and Nickel-Catalyzed α,β-Dehydrogenation of Carbonyls via Organozinc Intermediates” ChemRxiv. Cambridge: Cambridge Open Engage; 2022, DOI: 10.26434/chemrxiv-2022-0t55g Jungmin Eun, Timothy R. Newhouse. “Computational decoding” Nature Reviews Chemistry, 2022, 6, 168-169. Yannan Liu, Alexander W. Schuppe, Yizhou Zhao, Jaehoo Lee, Timothy R. Newhouse. “Synthesis of (–)-melazolide B, a degraded limonoid, from a natural terpene precursor” Tetrahedron Chem. 1, 2022, DOI: 10.1016/j.tchem.2022.100011 Pengpeng Zhang, Jin Wang, Zoe R. Robertson, Timothy R. Newhouse. “Coordination-Controlled Nickel-Catalyzed Benzylic Allylation of Unactivated Electron-Deficient Heterocycles” Angew. Chem. Int. Ed. 2022, DOI: 10.1002/anie.202200602 Pengpeng Zhang, Timothy R. Newhouse*. “Thiophene, 2-bromo-5-methyl-” Encyclopedia for Reagents in Organic Synthesis 2021, DOI: 10.1002/047084289X.rn02366 Alexander W. Schuppe, Yannan Liu, Yizhou Zhao, Sebastian Ibarraran, David Huang, Emma Wang, Jaehoo Lee, Patrick Loria, Timothy R. Newhouse. “Strategies for the De Novo Synthesis of Highly Substituted Pyridine Scaffolds: Unified Total Synthesis of the Limonoid Alkaloids” ChemRxiv. Cambridge: Cambridge Open Engage; 2021. Pengpeng Zhang†, Jungmin Eun†, Masha Elkin, Yizhou Zhao, Rachel L. Cantrell, and Timothy R. Newhouse. “A Neural Network Model Informs Total Synthesis of Clovane Sesquiterpenoids” ChemRxiv. Cambridge: Cambridge Open Engage; 2021. Alexandra K. Bodnar, Aneta Turlik, David Huang, Will Butcher, Joanna K. Lew, Timothy R. Newhouse. “Preparation of Hindered Aniline CyanH and Application in the Allyl-Ni-Catalyzed α,β-Dehydrogenation of Carbonyls” Org. Synth. 2021, 98, 263-288. DOI: 10.15227/orgsyn.098.0263 Chang-Yun Shi†, Jungmin Eun†, Timothy R. Newhouse*, Liang Yin* “Copper(I)‐Catalyzed Asymmetric Conjugate 1,6‐, 1,8‐, and 1,10‐Borylation” Angew. Chem. Int. Ed. 2021, xx-xx. DOI: 10.1002/anie.202016081 David Huang†, Timothy R. Newhouse. “Dehydrogenative Pd and Ni Catalysis for Total Synthesis” Acc. Chem. Res. 2021, 54, 1118-1130. DOI: 10.1021/acs.accounts.0c00787 Alexander W. Schuppe†, Yannan Liu†, Timothy R. Newhouse. “An Invocation for Computational Evaluation of Isomerization Transforms: Cationic Skeletal Reorganizations as a Case Study” Natural Product Reports, 2021, 38, 510-527. DOI: 10.1039/D0NP0005A Diego Olivieri†, David Huang†, Alexandra K. Bodnar, Shijin Yu, Timothy R. Newhouse. “Zinc-mediated anionic cyclization of unstabilized ketone enolates with unactivated alkenes” Tetrahedron 2020, 76. DOI: 10.1016/j.tet.2020.131417 Yannan Liu, Tina A. Holt, Andrei Kutateladze, Timothy R. Newhouse. “Stereochemical Revision of Xylogranatin F by GIAO and DU8+ NMR Calculations” Chirality, 2020, 32, 515-523. DOI: 10.1002/chir.23189Publication 40(39) Pengpeng Zhang, David Huang, Timothy R. Newhouse. “Aryl-Nickel-Catalyzed Benzylic Dehydrogenation of Electron-Deficient Heteroarenes” J. Am. Chem. Soc. 2020 142, 1757-1762. DOI:10.1021/jacs.9b12706 Pengpeng Zhang, Timothy R. Newhouse. “Oxidation Stepping Stones: α-Oxytriflation Enables Asymmetric Arylation of Amides” Chem. 2019, 5(7), 1690-1692. DOI: https://doi.org/10.1016/j.chempr.2019.06.008 David Huang, Diego Olivieri, Yang Sun, Pengpeng Zhang, Timothy R. Newhouse. “Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates” J. Am. Chem. Soc. 2019, 141, 16249-16254. DOI:10.1021/jacs.9b09245 Alexander W. Schuppe†, Yizhou Zhao†, Yannan Liu, Timothy R. Newhouse. “Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion” J. Am. Chem. Soc. 2019, 141, 9191-9126. DOI:10.1021/jacs.9b04508 Aneta Turlik, Yifeng Chen, Anthony C. Scruse, Timothy R. Newhouse. “Convergent Total Synthesis of Principinol D, a Rearranged Kaurane Diterpenoid” J. Am. Chem. Soc. 2019, 141, 8088-8092. DOI:10.1021/jacs.9b03751 Joshua E. Zweig, Tongil A. Ko, Junrou Huang, Timothy R. Newhouse. “Effects of π-Extension on Pyrrole Hemithioindigo Photoswitches.” Tetrahedron. 2019, 75(34), 130466 DOI:10.1016/j.tet.2019.130466