Tag

Skeletal Editing

All articles tagged with #skeletal editing

chemistry6 days ago•17 min saved

O-to-C Skeletal Editing Bridges Isoxazoles to Pyrroles in One Pot

Nature reports a one-pot O-to-C skeletal edit that converts isoxazoles into pyrroles via a key N-propargylic enaminone intermediate. The method provides an orthogonal retrosynthetic disconnection to traditional pyrrole syntheses and enables regioselective pyrroles that were previously hard to access, with a predictive computational model describing conformational features governing outcomes. Full data, including crystallography, are in the Supplementary Information and associated deposits.

via Nature|

#chemistry #computational-modeling #isoxazole-chemistry

chemistry2 months ago•3 min saved

Sprayed water rewires aniline into pyridine: a green skeletal editing breakthrough

Water microdroplets enable a reagent-free conversion of aniline to pyridine via a rapid skeletal rearrangement at the air–water interface, suggesting a green route to heterocycles. The proposed mechanism starts with hydroxyl-radical initiation, forms a seven-membered lactone, eliminates CO to revert to a six-membered ring, and oxidizes to aromatic pyridine. The team also converted pharmaceutically relevant anilines to niacin, nicotinamide and isoniazid, highlighting green potential while noting scalability and isolated-yield challenges.

via Chemistry World|

#aniline-to-pyridine #chemistry #green-synthesis

science-and-technology3 years ago•1 min saved

"Chemists Achieve 'Almost Magical' Feat: Manipulating Single Atoms within Molecules"

Chemists have developed techniques for "skeletal editing," which allows them to manipulate individual atoms within a molecule's core by deleting, adding, or swapping them. This breakthrough has the potential to revolutionize the field of organic chemistry and significantly accelerate the drug-discovery process.

via Nature.com|

#chemistry #drug-discovery #medicinal-chemistry

science-and-technology3 years ago•0 min saved

Revolutionary technique allows precise manipulation of complex molecules at atomic level.

A new technique called skeletal editing is making it possible for individual atoms in a molecular skeleton to be swapped out or deleted without having to disassemble entire molecules. This is a significant breakthrough in drug discovery, as it allows for more efficient and targeted modifications to complex molecules.

via Interesting Engineering|

#atom-swapping #chemistry #drug-discovery