Prediction of the chemical context for Buchwald-Hartwig coupling reactions.
Sign Up to like & getrecommendations! Published in 2022 at "Molecular informatics"
DOI: 10.1002/minf.202100294
Abstract: We present machine learning models for predicting the chemical context for Buchwald-Hartwig coupling reactions, i.e., what chemicals to add to the reactants to give a productive reaction. Using reaction data from in-house electronic lab notebooks,… read more here.
Keywords: context; chemical context; context buchwald; hartwig coupling ... See more keywords
Solvent-free Buchwald–Hartwig amination with low palladium loadings
Sign Up to like & getrecommendations! Published in 2017 at "Mendeleev Communications"
DOI: 10.1016/j.mencom.2017.11.027
Abstract: A highly efficient ‘green’ solvent-free monoarylation of primary anilines with aryl bromides mediated by the expanded-ring N-heterocyclic carbene palladium complex (THP-Dipp)Pd(cinn)Cl [THP-Dipp is 1,3-bis(2,6-diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene; cinn is cinnamyl] can be performed at low catalyst loadings (0.1… read more here.
Keywords: amination low; hartwig amination; buchwald hartwig; free buchwald ... See more keywords
Design and preparation of Cu-anchored polymeric carbon nitride (Cu/PCN) mesoporous nanotubes: An efficient catalyst for Buchwald–Hartwig coupling of pyrimidines
Sign Up to like & getrecommendations! Published in 2020 at "Microporous and Mesoporous Materials"
DOI: 10.1016/j.micromeso.2019.109972
Abstract: Abstract By calcining melamine with Cu(NO3)2·3H2O, Cu-anchored polymeric carbon nitride (Cu/PCN) was prepared. SEM and TEM images demonstrated this material was constituted by PCN nanotubes with ca 50 nm diameters involving a variety of ca 5-10 nm-sized… read more here.
Keywords: polymeric carbon; buchwald hartwig; hartwig coupling; anchored polymeric ... See more keywords
Synthesis of N-heterocyclic carbene-Pd(II) complexes and their catalytic activity in the Buchwald-Hartwig amination of aryl chlorides
Sign Up to like & getrecommendations! Published in 2017 at "Tetrahedron"
DOI: 10.1016/j.tet.2017.11.026
Abstract: Abstract Novel N-heterocyclic carbene-palladium(II) complexes using 2-picolinic acid as the ancillary ligand have been successfully developed under mild conditions. Their catalytic activity in organic synthesis has been initially tested in the Buchwald-Hartwig amination of secondary… read more here.
Keywords: hartwig amination; buchwald hartwig; catalytic activity; aryl chlorides ... See more keywords
Buchwald–Hartwig Amination, High-Throughput Experimentation, and Process Chemistry: An Introduction via Undergraduate Laboratory Experimentation
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Chemical Education"
DOI: 10.1021/acs.jchemed.0c01355
Abstract: This three-part laboratory experiment investigates key aspects of the Buchwald–Hartwig amination cross-coupling reaction through guided-inquiry learning strategies. The first part of this experimen... read more here.
Keywords: buchwald hartwig; laboratory; experimentation; hartwig amination ... See more keywords
Synthesis and Photophysical Properties of 5-N-Arylamino-4-methylthiazoles Obtained from Direct C–H Arylations and Buchwald–Hartwig Aminations of 4-Methylthiazole
Sign Up to like & getrecommendations! Published in 2017 at "Organometallics"
DOI: 10.1021/acs.organomet.7b00128
Abstract: 5-N-Arylamino-4-methylthiazoles were synthesized from commercially available 4-methylthiazole in three consecutive steps: (i) direct Pd-catalyzed C–H arylations of the thiazole, (ii) bromination, and (iii) Pd-catalyzed Buchwald–Hartwig aminations. The resulting thiazoles showed the longest-wavelength absorption maxima at… read more here.
Keywords: arylamino methylthiazoles; buchwald hartwig; synthesis photophysical; hartwig aminations ... See more keywords
Rapid Evaluation of the Mechanism of Buchwald-Hartwig Amination and Aldol Reactions Using Intramolecular 13C Kinetic Isotope Effects.
Sign Up to like & getrecommendations! Published in 2021 at "ACS catalysis"
DOI: 10.1021/acscatal.0c04752
Abstract: A practical approach is introduced for the rapid determination of 13C kinetic isotope effects that utilizes a "designed" reactant with two identical reaction sites. The mechanism of the Buchwald-Hartwig amination of tert-butylbromobenzene with primary and… read more here.
Keywords: 13c kinetic; hartwig amination; methodology; mechanism ... See more keywords
Catalyst-transfer polymerization of arylamines by the Buchwald–Hartwig cross-coupling
Sign Up to like & getrecommendations! Published in 2019 at "Polymer Chemistry"
DOI: 10.1039/c8py01646a
Abstract: The control over the polymerization course of arylamines by the Buchwald–Hartwig reaction was achieved by the introduction of suitable functional groups onto the AB-type monomer. read more here.
Keywords: buchwald hartwig; catalyst transfer; arylamines buchwald; transfer polymerization ... See more keywords
Buchwald Hartwig diversification of unprotected halotryptophans, halotryptophan containing tripeptides and the natural product barettin in aqueous conditions.
Sign Up to like & getrecommendations! Published in 2019 at "Chemical communications"
DOI: 10.1039/c9cc02554e
Abstract: Blending synthetic biology and synthetic chemistry represents a powerful approach to diversity complex molecules. To further enable this, compatible synthetic tools are needed. We report the first Buchwald Hartwig amination reactions with unprotected halotryptophans under… read more here.
Keywords: buchwald hartwig; product barettin; unprotected halotryptophans; aqueous conditions ... See more keywords
What can reaction databases teach us about Buchwald–Hartwig cross-couplings?
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Science"
DOI: 10.1039/d0sc04074f
Abstract: Despite the widespread and increasing usage of Pd-catalyzed C–N cross couplings, finding good conditions for these reactions can be challenging. Practitioners mostly rely on few methodology studies or anecdotal experience. This is surprising, since the… read more here.
Keywords: cross couplings; buchwald hartwig; reaction; data driven ... See more keywords
Lithium sensors based on photophysical changes of 1-aza-12-crown-4 naphthalene derivatives synthesized via Buchwald–Hartwig amination
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra05746h
Abstract: Lithium detection is of great significance in many applications. Lithium-sensing compounds with high selectivity are scarce and, if any, complicated to synthesize. We herein report a novel yet simple compound that can detect lithium ions… read more here.
Keywords: synthesized via; aza crown; buchwald hartwig; hartwig amination ... See more keywords