An integrated console for capsule-based, automated organic synthesis

Abstract

The current laboratory practices of organic synthesis are labor intensive, impose safety and environmental hazards, and hamper the implementation of artificial intelligence guided drug discovery. Using a combination of reagent...

A vending machine for drug-like molecules – automated synthesis of virtual screening hits

“…We previously reported a capsule for the preparation of ketones, derived from resin 1 , which uses the SCX-2 resin, typically used for automated purification in SnAP capsules, to affect the ketal deprotection. 19 The resulting ketone can be reacted with amines, using a reductive amination capsule, to provide derivatives of scaffold 1′ . Resins 1 , 3 and 4 gave the final compounds as a mixture of two diastereomers, with the reductive amination being identified as the divergent step; whereas resin 2 provided access to all four diastereomers.…”

“…With the development of smaller, lower-cost, multi-functional automated synthesis consoles, it is now possible that the role of these costly, highly specialized automated synthesis labs may be substituted by more widely available platforms (Figure 1). 19,20,21 As part of our efforts to provide inexpensive, flexible, and predictable synthesis of drug-like compounds, we have engineered compact, capsule-based instruments for fully automated chemical synthesis. 19 By employing fully automated assembly reactions, combined with bifunctional building blocks and commercial reagents, we can access a broad scope of attractive small molecules, with minimal time and manual operation.…”

“…[19][20][21] As part of our efforts to provide inexpensive, exible, and predictable synthesis of drug-like compounds, we have engineered compact, capsule-based instruments for fully automated chemical synthesis. 19 By employing fully automated assembly reactions, combined with bifunctional building blocks and commercial reagents, we can access a broad scope of attractive small molecules, with minimal time and manual operation. Limiting the range of assembly reactions does not preclude complexity or novelty, thanks to the vast scope of available building blocks.…”

Ketones as strategic building blocks for the synthesis of natural product-inspired compounds

“…131 Automation of this general synthetic approach has also been investigated, although was limited to aldehyde coupling partners. 132 Related protocols have been developed to prepare morpholines and piperazines under Sn-free conditions using photocatalysis. 133…”

Digitizing Chemical Synthesis in 3D Printed Reactionware

“…Automated chemical synthesis empowers non-experts to access molecular function by capturing accumulated expertise within user-friendly self-contained devices. [1] The impact of generalized automation has already been substantial in the areas of peptide, [2] oligonucleotide, [3] and oligosaccharide synthesis [4] where commercial synthesizers are now routinely employed. [5] Critically, the limited range of chemical reactions required to assemble the modular building blocks for these biopolymers has facilitated their capture within an automated regime.…”