It's finally time to share this: my long time obsession with inherently chiral medium-sized rings now has a catalytic, enantioselective method. After a number of attempts, we developed a strategy based on choosing the maximally preorganized disconnection, which... [1/3]
Please check out Rowan, an amazing company taking the technical hassle out of computational chemistry!
The project is of course fully open source. Happy to see this project being adopted!
Code on Github: https://t.co/K5O8uCVPXi
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Too many chemically identical rotamers in your CREST ensembles? If you are not interested in them, they can inflate your ensembles greatly!
https://t.co/Cj6n5Szc4n
(w/@RowanSci)
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In collaboration with Jonathon from @RowanSci, I packaged my code into a polished standalone library for ease of use and contribution! Working with Jonathon was not only a breeze, but also a great formative experience about modern software development practices (thanks!).
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🚨RADICAL RETHINK: STEREORETENTIVE CROSS COUPLING UNLOCKED🚨 Today in @ChemRxiv (https://t.co/zGZFCsK7aK) the first method for stereoretentive radical cross-coupling is disclosed. No fancy ligands or redox needed—just a Ni-diazene twist. 120 years after Gomberg, a new chapter begins.
Quick summary:
Since Gomberg discovered free radicals over 120 years ago and Kochi pioneered radical cross-coupling in the 1970s, this field has surged with interest for linking C(sp3) fragments. Unlike traditional polar methods (e.g., Suzuki), radical cross-coupling excels with saturated systems, offering mild conditions and chemoselectivity to build complex molecules from common fragments. Until now, enantiospecific radical cross-coupling was deemed impossible due to rapid racemization, but today that changes with readily available sulfonylhydrazides and a simple Ni-catalyst. This stereoretentive approach, enabled by a unique Ni-diazene transition state and driven by loss of N2, skips chiral ligands and redox steps, opening new possibilities for synthesis.
Cationic, Iodine(III)-Mediated and Directed Diastereoselective Oxidation of Inert C-H Bonds in Cyclic Hydrocarbons (Nuno Maulide and co-workers) @MaulideLab#openaccess 🔓 https://t.co/4vjRTLFW2U
Join us today as @ntampellini_ from @MillerGroupYale shares his work on enantiocontrolled cyclization reactions!! Thanks to Sourav @CompoSciTian_SM for hosting!
Link: https://t.co/1cQ0Tx3kmr
@J_A_C_S https://t.co/j0GMfh9RZ4
It's finally time to share this: my long time obsession with inherently chiral medium-sized rings now has a catalytic, enantioselective method. After a number of attempts, we developed a strategy based on choosing the maximally preorganized disconnection, which... [1/3]
Conceptually new asymmetric transformation—Reflexive Chirality Transfer (RCT)— appeared in @ChemRxiv (https://t.co/LNFljXeLSO).
1,3-Dipolar cycloaddition of amino acid Schiff bases proceeds with "preserving chirality" despite the once loss of the chirality at the α-carbon.