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Direct catalytic asymmetric synthesis of α-chiral bicyclo[1.1.1]pentanes

Abstract:
Bicyclo[1.1.1]pentanes (BCPs) are important motifs in contemporary drug design as linear spacer units that improve pharmacokinetic profiles. The synthesis of BCPs featuring adjacent stereocenters is highly challenging, but desirable due to the fundamental importance of 3D chemical space in medicinal chemistry. Current methods to access these high-value chiral molecules typically involve transformations of pre-formed BCPs, and can display limitations in substrate scope. Here we describe an approach to synthesize α-chiral BCPs involving the direct, asymmetric addition of simple aldehydes to [1.1.1]propellane, the predominant BCP precursor. This is achieved by combining a photocatalyst and an organocatalyst to generate a chiral α-iminyl radical cation intermediate, which installs a stereocenter simultaneously with ring-opening of [1.1.1]propellane. The reaction proceeds under mild conditions, displays broad scope, and provides an array of α-chiral BCPs in high yield and enantioselectivity. We also present a theoretical model for stereoinduction in this mode of photoredox organocatalysis.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1038/s41467-021-21936-4

Authors


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Role:
Author
ORCID:
0000-0002-3571-1094
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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Role:
Author
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Institution:
University of Oxford
Department:
CHEMISTRY
Sub department:
Organic Chemistry
Role:
Author
ORCID:
0000-0002-4149-0494


Publisher:
Springer Nature
Journal:
Nature Communications More from this journal
Volume:
12
Issue:
1
Article number:
1644
Publication date:
2021-03-12
Acceptance date:
2021-02-18
DOI:
EISSN:
2041-1723


Language:
English
Keywords:
Pubs id:
1168020
Local pid:
pubs:1168020
Deposit date:
2021-04-02

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