Autor: |
Andraos John |
Jazyk: |
angličtina |
Rok vydání: |
2019 |
Předmět: |
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Zdroj: |
Green Processing and Synthesis, Vol 8, Iss 1, Pp 324-336 (2019) |
Druh dokumentu: |
article |
ISSN: |
2191-9550 |
DOI: |
10.1515/gps-2018-0131 |
Popis: |
This report describes mathematical relationships between step and cumulative process mass intensities (PMIs) for synthesis plans, and analogous parameters applied to E-factors. It is shown that both step E-factors and step PMIs are not additive for synthesis plans. It is also shown that a recursive calculation of cumulative PMIs from step PMIs is a rapid method of determining overall PMIs for synthesis plans, though cumulative PMIs are not sufficiently informative as step PMIs or step E-factors to identify bottlenecks in synthesis plans. Illustrations on the use of these metrics to track the material efficiency of published synthesis plans for the pharmaceutical, apixaban, are given as a template example. Advantages and disadvantages of each metric are discussed. A general algorithm to select the most promising candidate synthesis plans considered at the design stage for a given molecular target that most likely satisfy “green” material efficiency criteria is also presented. |
Databáze: |
Directory of Open Access Journals |
Externí odkaz: |
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