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Digitizing Chemical Synthesis in 3D Printed Reactionware.
Andrius Bubliauskas1, Daniel J Blair2, Henry Powell-Davies1
1School of Chemistry, The University of Glasgow, Glasgow, G12 8QQ, UK.
Angewandte Chemie (International Ed. in English)
|March 8, 2022
Summary
Digitizing organic synthesis requires standardized, modular hardware. This study presents a new approach combining process chemistry and 3D printed reactionware for reproducible chemical coding and synthesis.
Area of Science:
- Organic Chemistry
- Chemical Engineering
- Digital Chemistry
Background:
- Standardizing chemistry digitization is crucial for linking experimental data and code.
- Current methods lack standardization, hindering chemical code portability.
- A universal approach using modular hardware and well-defined standards is needed.
Purpose of the Study:
- To present a novel approach for digitizing organic synthesis.
- To combine process chemistry principles with 3D printed reactionware.
- To establish a standard for reproducible chemical coding.
Main Methods:
- Developing a digitization process for organic synthesis.
- Utilizing modular hardware and 3D printed reactionware.
- Translating unit operations into digitized hardware and instructions.
Main Results:
- Successfully digitized the synthesis of 3 MIDA boronate building blocks.
- Demonstrated digitization for ester hydrolysis, Wittig olefination, and Suzuki-Miyaura coupling.
- Outlined the process for synthesizing the drug sulfanilamide using the new method.
Conclusions:
- The presented approach enables effective and reproducible organic synthesis digitization.
- This method bridges process chemistry and digital tools for enhanced chemical coding.
- The strategy facilitates the portability and standardization of chemical synthesis protocols.

