parallel runs: 48 Based on:EXP099 where precipitate was observed within hours
Final concentration of reagents in methanol 0.5M
t-butyl isonitrile
boc-gly
benzaldehyde
furfurylamine

Planned workflow (48 experiments total):
Make up 2M methanol solutions of starting materials
Total volume should be 2 mL Parameters to modify:
concentration - 0.5M, 0.25M and 0.1M
reagent excess - 1.0 and 1.2 equivalents
solvent (for 0.25 and 0.1 conc only): ethanol, acetonitrile, THF

Factorial Design of Experiments (K Owens comments)

I think a Norm Abram "rule for wikiposting" should be "think twice, post once". I neglected the fact that there are 4 different reagents (not one) and that if amounts of the reagents change then the ratios (excess) of one reagent over another are varied that way (the experimental factors are not independent). I'll work on this again and repost.

Company:Mettler ToledoDate for trial:Thursday May 29, 2008Location:Drexel Bradley lab in 511 DisqueModules:liquid handler - 2 x miniblock 48 (miniblock brochure)MiniMapper facilities list.pdf

Software:Workflow Specs:link to XML schemaChemicals available (at least 25g) different from Library3 starting materials.

## Trial runs:

## #1 Optimize reaction known to work: EXP189

parallel runs:48Based on:EXP099 where precipitate was observed within hoursFinal concentration of reagents in methanol 0.5M

t-butyl isonitrile

boc-gly

benzaldehyde

furfurylamine

Planned workflow (48 experiments total):Make up 2M methanol solutions of starting materials

Total volume should be 2 mL

Parameters to modify:concentration - 0.5M, 0.25M and 0.1M

reagent excess - 1.0 and 1.2 equivalents

solvent (for 0.25 and 0.1 conc only): ethanol, acetonitrile, THF

Experiments are listed in this spreadsheet

## #2 check for new precipitates: EXP190

parallel runs:48MettlerTrial2 spreadsheet that anyone can edit

list of available starting materials: Library3

## #3 crowdsourcing trial

parallel runs:96MettlerTrial3 spreadsheet that anyone can edit

list of available starting materials: Library3

## Factorial Design of Experiments (K Owens comments)

I think a Norm Abram "rule for wikiposting" should be "think twice, post once". I neglected the fact that there are 4 different reagents (not one) and that if amounts of the reagents change then the ratios (excess) of one reagent over another are varied that way (the experimental factors are not independent). I'll work on this again and repost.