Meet Hannah, an academic R&D chemist in Glasgow. Hannah wants to perform a selective amination of an alcohol under mild conditions. After a literature search she came across the use of trichloromethyl ketones as unique reagents for this transformation. To produce the ketone, she identified a suitable alcohol oxidation reaction (Org.Synth.2018, 95, 310-327).
First, she creates a recipe using the RecipeBuilder module. This records every reagent, piece of equipment and procedure, step by step, in a standard shareable format.
The scheme for the synthesis of 2,2,2-trichloro-1-phenylethan-1-one
Hannah constructing a recipe in the DigitalGlassware™ RecipeBuilder module.
Next, Hannah sets up the reaction using the hardware that is the key to the unique insights from DigitalGlassware™. The EnvironmentalSensor records ambient conditions, while DeviceX sits inside the flask, continuously recording data such as temperature, UV light levels and even images and sound. Data from external hardware such as stirrer plates can also be recorded. Set-up is simple and the hardware is compact, taking up minimal space in the fume hood.
As Hannah carries out the reaction, the RecipeRunner tablet app prompts her at every stage, and records the precise time each step is carried out. All the while, real-time data from the hardware is also being logged, showing how each process affects what is happening inside the flask.
After carrying out the reaction twice, and obtaining similar yields of 61% and 69%, Hannah compares the two reaction runs using the RunManager software. This provides a graphical view of the reaction data from start to finish, allowing any of the recorded data streams to be plotted side by side. In this case the temperature profile of the two reactions can be seen to be very similar.
The DeviceX immersed temperature sensor data for the two runs Hannah performed.
Future reactions can be compared to these successful runs, giving insight into the reasons for failure – or, as we will see in future posts, giving an early warning if a reaction is not proceeding as it should.
You can view Hannah’s run data and look around the RunManager module of DigitalGlassware™ by following this link. Make sure to check the blog for regular updates in which we will demonstrate more of the capabilities of DigitalGlassware™.
Note all captured reaction data is real as presented. User identities have been anonymised.
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