Atom efficiency and catalysis in organic synthesis

Sheldon, Roger A.

doi:10.1351/pac200072071233

Cited by 731 publications

(345 citation statements)

References 37 publications

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“…Hence, reactions with lower AE are usually labelled as less environmentally friendly reactions [26]. AE is an easy to use metric, based on the reaction stoichiometry and mechanism [29]. However, it does not consider the by-products produced, or co-substrates used and it is based only on the reaction chemistry, not taking into account the overall process: …”

Section: Aementioning

confidence: 99%

Application of environmental and economic metrics to guide the development of biocatalytic processes

Lima-Ramos¹,

Tufvesson²,

Woodley³

2014

Green Processing and Synthesis

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Abstract:The increasing industrial interest in biocatalytic processes is predominantly driven by the need for selective chemistry, with high reaction yield (Y reaction ) and few side reactions, as well as the need for optically pure chiral molecules (in particularly in the pharmaceutical industry). Interestingly, it is often argued that the mild conditions frequently used in biocatalytic reactions (ambient temperature and pressure, neutral pH and aqueous-based media) automatically lead to environmentally-friendly and cost-effective production processes. However, such a conclusion is not justified without the use of adequate tools to evaluate the performance of a process, in particular during process development. Nevertheless, at the early development stage, evaluation of biocatalytic processes is not a trivial task, not only due to the lack of data, but also because at this stage many of the biocatalytic processes are not yet fully optimized. Hence, in this paper we propose the use of a range of tools which can be used to guide process development, research tasks and support decision-making. Three sets of metrics are identified, each for use at different stages of process development (route selection, early development and late development), each with different objectives.

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Section: Aementioning

confidence: 99%

Application of environmental and economic metrics to guide the development of biocatalytic processes

Lima-Ramos¹,

Tufvesson²,

Woodley³

2014

Green Processing and Synthesis

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“…The E Factor is defined as the mass ratio of waste-to-desired-products; specifically, it represents the sum of all raw materials input (kg), minus the desired product, then divided by the amount of the final product (kg) [14,[17][18][19][20][21][22][23][24].…”

Section: Introductionmentioning

confidence: 99%

The Catalyst Selectivity Index (CSI): A Framework and Metric to Assess the Impact of Catalyst Efficiency Enhancements upon Energy and CO2 Footprints

et al. 2015

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Heterogeneous catalysts are not only a venerable part of our chemical and industrial heritage, but they also occupy a pivotal, central role in the advancement of modern chemistry, chemical processes and chemical technologies. The broad field of catalysis has also emerged as a critical, enabling science and technology in the modern development of ''Green Chemistry'', with the avowed aim of achieving green and sustainable processes. Thus a widely utilized metric, the environmental E factor-characterizing the waste-to-product ratio for a chemical industrial processpermits one to assess the potential deleterious environmental impact of an entire chemical process in terms of excessive solvent usage. As the many (and entirely reasonable) societal pressures grow, requiring chemists and chemical engineers not only to develop manufacturing processes using new sources of energy, but also to decrease the energy/carbon footprint of existing chemical processes, these issues become ever more pressing. On that road to a green and more sustainable future for chemistry and energy, we note that, as far as we are aware, little effort has been directed towards a direct evaluation of the quantitative impacts that advances or improvements in a catalyst's performance or efficiency would have on the overall energy or carbon (CO 2 ) footprint balance and corresponding greenhouse gas (GHG) emissions of chemical processes and manufacturing technologies. Therefore, this present research was motivated by the premise that the sustainability impact of advances in catalysis science and technology, especially heterogeneous catalysis-the core of large-scale manufacturing processes-must move from a qualitative to a more quantitative form of assessment. This, then, is the exciting challenge of developing a new paradigm for catalysis science which embodies-in a truly quantitative form-its impact on sustainability in chemical, industrial processes. Towards that goal, we present here the concept, definition, design and development of what we term the Catalyst Sensitivity Index (CSI) to provide a measurable index as to how efficiency or performance enhancements of a heterogeneous catalyst will directly impact upon the fossil energy consumption and GHG emissions balance across several prototypical fuel production and conversion technologies, e.g. hydrocarbon fuels synthesized using algae-tobiodiesel, algae-to-jet biofuel, coal-to-liquid and gas-to-liquid processes, together with fuel upgrading processes using fluidized catalytic cracking of heavy oil, hydrocracking of heavy oil and also the production of hydrogen from steam methane reforming. Traditionally, the performance of a catalyst is defined by a combination of its activity or efficiency (its turnover frequency), its selectivity and stability (its turnover number), all of which are direct manifestations of the intrinsic physicochemical properties of the heterogeneous catalyst itself under specific working conditions. We will, of course, retain these definitions of the catalytic process, ...

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“…It was felt necessary to consider RME/% Mass of desired product/Total mass of reactants used [4] E-factor Total mass waste/Mass of desired product [5] PMI Total mass required/Mass of desired product = E-Factor + 1 [6] gRME/% Mass of desired product=Total mass required ¼ 1 PMI [7] the origins of the ingredients in making these ionic liquids to preserve the sustainability of the esterification methodology that is reliant on them as catalysts. A route to bio-based NMP has recently been described in the literature using the amino acid glutamic acid as the primary feedstock ( Figure 2) [18].…”

Section: Resultsmentioning

confidence: 99%

Using metrics and sustainability considerations to evaluate the use of bio-based and non-renewable Brønsted acidic ionic liquids to catalyse Fischer esterification reactions

Clark

Farmer

Macquarrie

et al. 2013

sustain chem process

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Background: Ionic liquids have found uses in many applications, one of which is the joint solvation and catalysis of chemical transformations. Suitable Brønsted acidic ionic liquids can be formed by combining lactams with sulphonic acids. This work weighs up the relative benefits and disadvantages of applying these Brønsted acidic ionic liquid catalysts in esterifications through a series of comparisons using green chemistry metrics. Results: A new bio-based ionic liquid was synthesised from N-methyl pyrrolidinone and p-cymenesulphonic acid, and tested as a catalyst in three Fischer esterifications under different conditions. An evaluation of the performance of this Brønsted acidic ionic liquid was made through the comparison to other ionic liquid catalysts as well as conventional homogeneous Brønsted acids.

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Atom efficiency and catalysis in organic synthesis

Cited by 731 publications

References 37 publications

Application of environmental and economic metrics to guide the development of biocatalytic processes

Application of environmental and economic metrics to guide the development of biocatalytic processes

The Catalyst Selectivity Index (CSI): A Framework and Metric to Assess the Impact of Catalyst Efficiency Enhancements upon Energy and CO2 Footprints

Using metrics and sustainability considerations to evaluate the use of bio-based and non-renewable Brønsted acidic ionic liquids to catalyse Fischer esterification reactions

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