Engineering chemistry for the future of chemical synthesis

Abstract

Synthesis is changing in response to our modern resource conscious world. The principles of green chemistry are evolving as the interfaces and boundaries in science are less obvious and providing a new stimuli for future discovery. The invention and application of new chemical reactivity continues to be a primary driver since this opens up so many strategic opportunities for synthesis. However, the manual intensive efforts behind such activity inevitably lead to the need for more machine based approaches. Indeed, the engineering of chemistry delineated in this Symposium in Print seeks to collate some of the recent progress and innovation in the area with contributions from its visionary practitioners.

Across‐the‐World Automated Optimization and Continuous‐Flow Synthesis of Pharmaceutical Agents Operating Through a Cloud‐Based Server

“…The demands of modern‐day synthesis often go beyond the task of simply assembling a particular target molecule and include additional evaluation criteria, whereby cost, efficiency, robustness, and sustainability can also be key factors . Furthermore, this leads to the need for the discovery of greater and more diverse reactivity patterns together with improved optimization tools and other enabling technologies to facilitate levels of automation. Deeper reaction understanding, data acquisition, and mining with machine‐learning algorithms are fueling opportunities in artificial intelligence (AI) and machine intuition for example …”

Divergent Multistep Continuous Synthetic Transformations of Allylic Alcohol Enabled by Catalysts Immobilized in Ionic Liquid Phases.

“…In this regard, the development of multicatalytic platforms that allow sequential and controllable processes is highly desirable. This can lead to complex syntheses through reduced external intervention and minimal environmental impact . These platforms facilitate: 1) greater reproducibility of reactions; 2) easy scaling, which facilitates the direct transfer of laboratory results to production; 3) reduction in environmental impact; 4) improved safety; 5) synthesis of new high‐value chemical entities; and 6) intensification of the process.…”

“…This can lead to complex synthesest hrough reduced external intervention and minimal environmental impact. [12][13][14][15][16] These platforms facili-tate:1 )greater reproducibility of reactions;2 )easys caling, which facilitates the direct transfer of laboratory resultst op roduction; 3) reduction in environmental impact;4 )improved safety;5 )synthesis of new high-value chemical entities; and 6) intensificationo ft he process. Therefore, smaller-size systems can be used, offering cost reduction and higher productivity.…”

Across‐the‐World Automated Optimization and Continuous‐Flow Synthesis of Pharmaceutical Agents Operating Through a Cloud‐Based Server

“…The demands of modern-day synthesis often go beyond the task of simply assembling ap articular target molecule and include additional evaluation criteria, whereby cost, efficiency,robustness,and sustainability can also be key factors. [1] Furthermore,t his leads to the need for the discovery of greater and more diverse reactivity patterns together with improved optimization tools [2] and other enabling technologies [3] to facilitate levels of automation. Deeper reaction understanding,d ata acquisition, and mining with machinelearning algorithms are fueling opportunities in artificial intelligence (AI) and machine intuition for example.…”

“…Within 2hours 40 minutes,t he system identified conditions (105 8 8C, 5.0 min, 1.98 equiv of 5;s ee the Supporting Figure 1. a) Equipment layout for the three-dimensional self-optimization of tramadol (3). Feedback from an inline infrared spectrometer (IR) was used by the control system to drive optimization.b)The evaluationf unction for the optimizationo ftramadol (3), where t is residence time, p is product IR absorbance(compound 3), s is starting material IR absorbance( compound 1), and x is the equivalents of Grignard reagent 2 supplied to the reactor.…”