3D printing to increase the flexibility of the chemical synthesis of biologically active molecules: Design of on-demand gas generation reactors

Kirill S. Erokhin, Evgeniy G. Gordeev, Dmitriy E. Samoylenko, Konstantin S. Rodygin, Valentine P. Ananikov

Результат исследований: Научные публикации в периодических изданияхстатьярецензирование

Аннотация

The development of new drugs is accelerated by rapid access to functionalized and D-labeled molecules with improved activity and pharmacokinetic profiles. Diverse synthetic procedures often involve the usage of gaseous reagents, which can be a difficult task due to the requirement of a dedicated laboratory setup. Here, we developed a special reactor for the on-demand production of gases actively utilized in organic synthesis (C2H2, H2, C2D2, D2, and CO2) that completely eliminates the need for high-pressure equipment and allows for integrating gas generation into advanced laboratory practice. The reactor was developed by computer-aided design and manufactured using a conventional 3D printer with polypropylene and nylon filled with carbon fibers as materials. The implementation of the reactor was demonstrated in representative reactions with acetylene, such as atom-economic nucleophilic addition (conversions of 19-99%) and nickel-catalyzed S-functionalization (yields 74-99%). One of the most important advantages of the reactor is the ability to generate deuterated acetylene (C2D2) and deuterium gas (D2), which was used for highly significant, atom-economic and cost-efficient deuterium labeling of S,O-vinyl derivatives (yield 68-94%). Successful examples of their use in organic synthesis are provided to synthesize building blocks of heteroatom-functionalized and D-labeled biologically active organic molecules.

Язык оригиналаанглийский
Номер статьи9919
ЖурналInternational Journal of Molecular Sciences
Том22
Номер выпуска18
DOI
СостояниеОпубликовано - сен 2021

Предметные области Scopus

  • Катализ
  • Молекулярная биология
  • Спектроскопия
  • Прикладные компьютерные науки
  • Физическая и теоретическая химия
  • Органическая химия
  • Неорганическая химия

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