Synthetic applications of vinyl cyclopropane opening

M Meazza, H Guo, R Rios - Organic & Biomolecular Chemistry, 2017 - pubs.rsc.org
Vinyl cyclopropanes are amongst the most useful building blocks in organic synthesis. Their
easy opening and capacity to generate dipoles have been exploited for the synthesis of …

Recent advances in Fe-catalyzed C–H aminations using azides as nitrene precursors

B Plietker, A Röske - Catalysis Science & Technology, 2019 - pubs.rsc.org
Intramolecular aminations of C–H bonds represent an elegant synthetic way to form
important N-heterocycles. If suitable nitrene precursors are employed, organometallic …

Automated construction of molecular active spaces from atomic valence orbitals

ER Sayfutyarova, Q Sun, GKL Chan… - Journal of chemical …, 2017 - ACS Publications
We introduce the atomic valence active space (AVAS), a simple and well-defined automated
technique for constructing active orbital spaces for use in multiconfiguration and …

Utilizing Vinylcyclopropane Reactivity: Palladium‐Catalyzed Asymmetric [5+ 2] Dipolar Cycloadditions

MM Li, Q **ong, BL Qu, YQ **ao, Y Lan… - Angewandte …, 2020 - Wiley Online Library
Vinylcyclopropanes (VCPs) are commonly used in transition‐metal‐catalyzed
cycloadditions, and the utilization of their recently realized reactivities to construct new cyclic …

Iron‐Catalyzed Intramolecular C(sp2)−H Amination

IT Alt, B Plietker - Angewandte Chemie International Edition, 2016 - Wiley Online Library
The nucleophilic iron complex Bu4N [Fe (CO) 3 (NO)](TBA [Fe]) catalyzes the direct
intramolecular C− H amination of α‐azidobiaryls and (azidoaryl) alkenes into the …

Catalytic Enantioselective Cloke–Wilson Rearrangement

A Ortega, R Manzano, U Uria, L Carrillo… - Angewandte …, 2018 - Wiley Online Library
Racemic cyclopropyl ketones undergo enantioselective rearrangement to deliver the
corresponding dihydrofurans in the presence of a chiral phosphoric acid as the catalyst. The …

Iron‐Catalyzed Intramolecular Aminations of C(sp3)−H Bonds in Alkylaryl Azides

IT Alt, C Guttroff, B Plietker - Angewandte Chemie International …, 2017 - Wiley Online Library
Iron‐Catalyzed Intramolecular Aminations of C(sp3)−H Bonds in Alkylaryl Azides - Alt - 2017 -
Angewandte Chemie International Edition - Wiley Online Library Skip to Article Content Skip to …

Organocatalytic Cloke–Wilson Rearrangement: DABCO-catalyzed ring expansion of cyclopropyl ketones to 2, 3-dihydrofurans

J Zhang, Y Tang, W Wei, Y Wu, Y Li, J Zhang… - Organic …, 2017 - ACS Publications
An organocatalytic Cloke–Wilson rearrangement of cyclopropyl ketones to 2, 3-
dihydrofurans is exploited utilizing the homoconjugate addition process. With 1, 4 …

Active Space Selection Based on Natural Orbital Occupation Numbers from n-Electron Valence Perturbation Theory

A Khedkar, M Roemelt - Journal of Chemical Theory and …, 2019 - ACS Publications
Efficient and robust approximations to the full configuration interaction (full-CI) method such
as the density matrix renormalization group (DMRG) and the full-CI quantum Monte Carlo …

Lewis Acid Triggered Vinylcyclopropane–Cyclopentene Rearrangement

OA Ivanova, AO Chagarovskiy… - The Journal of …, 2018 - ACS Publications
We report a mild Lewis acid induced isomerization of donor–acceptor cyclopropanes,
containing an alkenyl moiety and diverse electron-withdrawing group (s) at the adjacent …