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Abstract
Avoiding trial and error experiments, the LSChrom software incorporating the Snyder theory was applied successfully to automatic selection of mobile phases for thin‐layer chromatography (TLC) on silica of two libraries of substituted trans‐piperidinones comprising amidolactames 1–15 and aminolactames 16–22. The procedure takes into account the adsorption properties of the mobile phase (parameter ϵ), stationary phase, and sample structure expressed by relevant groups. The recommended software value of ϵ was 0.460 for compounds 1–15 and 0.371 for compounds 16–22. Within about 190 measurements on silica using 13 computer selected mobile phases having these values of ϵ, the retention of any compound fell within a favorable range (0<RF<1). Separation of all adjacent components of any library failed in the chromatograms developed once for the majority of the mobile phases. The separation efficiency for compounds 1–15 was improved by application of triple development where the mean absolute value of log α increased from 0.16 to 0.23, corresponding to a complete separation.
Acknowledgment
The authors are grateful to Prof. Lloyd Snyder for his helpful comments and encouragement during the elaboration of both versions of LSChrom.