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UC on ChemSpider
Alicia's Masters Thesis
Open Web Drug Dev.
To Do List
Ugi NMR Analysis
To synthesize the top 20 Ugi products from the precipitate prediction library run dated 29th July, these also correspond to the
request numbers 112-131
Spreadsheet- Ugi reaction progress calculator
None of the reactions formed any ppts. These results, incorporated in the
sheets should enhance the prediction capability of the model.
Solid Ugi products were not obtained for any of the runs.
13:10 Weighed out a piperonal (1.501g, 10mmol), 3,4-methylenedioxyphenylacetic acid (0.901g, 5mmol) and N-Cbz-L-proline (0.499g, 2mmol).
13:40 Made-up a 5M solution of piperonal (1.501g, 10mmol) in methanol in a 2mL volumetric flask.
13:55 Made-up a 1M solution of
3,4-methylenedioxyphenylacetic acid (0.901g, 5mmol) in methanol in a 1mL volumetric flask.
14:20 Made-up a 2M solution of N-Cbz-Lproline (0.499g, 2mmol) in methanol in a 1mL volumetric flask.
14:45 Labeled 40 half dram vials
15:40 Pipetted out methanol into vials which needed them see
column labeled '"Extra solvent added (uL)"
16:00 Started pipetting out amine (0.1mmol) to each vial---see spreadsheet for details.
16:20 Pipetted 5M piperonal solution (20uL, 0.1mmol)
16:35 Pipetted out the carboxylic acid solution (0.1mmol) to each vial-see spreadsheet for details.
17:00 Pipetted out isocyanide (0.1mmol) to the vials.
17:30 Vortexed the vials for 10s each.
17:50 Obtained pictures of the vials sitting in well plates. [
UCExp245-i, UCExp245-ii, UCExp245-iii
18:00 None of the reactions have precipitated so far. Obtained pictures of the vials. [
19:35 The reaction mixtures from vials 1 abd 2 were transferred in to clean NMR tubes. CDCl3 (~700uL) was added to them.
20:00 Obtained HNMRs of the reaction mixtures from vials 1 and 2, these are recorded in the results section as
UCExp245-1A and UCExp245-2A
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