S1
SUPPLEMENTARY INFORMATION
Development of an Automated Kinetic Profiling System with Online HPLC for
Reaction Optimization
Melodie Christensen,*
a,c
Folarin Adedeji,
a
Shane Grosser,
a
Kerstin Zawatzky,
b
Yining Ji,
a
Jinchu
Liu,
b
Jon A. Jurica,
a
John R. Naber,
a
and Jason E. Hein*
c
*Email for M.C.: melodie.christensen@merck.com, Email for J.E.H.: jhein@chem.ubc.ca
Contents
1. General Remarks ................................................................................................................................... 2
1.1. Chemical Suppliers ........................................................................................................................ 2
1.2. Equipment ..................................................................................................................................... 2
1.3. Analytical Methods ....................................................................................................................... 3
2. Experimental Procedures ...................................................................................................................... 4
2.1. Procedures for Automated Kinetic Profiling ................................................................................. 4
2.2. Procedures for Preparation of Reaction Components.................................................................. 6
2.3. Sample Chemspeed Autosuite Protocol for Automated Kinetic Profiling .................................... 9
2.4. Picture of Chemspeed Robot Deck ............................................................................................. 10
3. Characterization of New Compounds ................................................................................................. 11
4. Calibration Curves ............................................................................................................................... 15
a.
Process Research and Development, Merck & Co., Inc., Rahway, NJ, USA
b.
Analytical Research and Development, Merck & Co., Inc., Rahway, NJ, USA
c.
Department of Chemistry, The University of British Columbia, Vancouver, BC, CA
Electronic Supplementary Material (ESI) for Reaction Chemistry & Engineering.
This journal is © The Royal Society of Chemistry 2019