The Eight Criteria Defining a Good Chemical Manufacturing Process

Dach, Rolf; Song, Jinhua J.; Roschangar, Frank; Samstag, Wendelin; Senanayake, Chris H.

doi:10.1021/op300144g

Cited by 116 publications

(102 citation statements)

References 38 publications

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“…9,18 They can be calculated from data found in batch records or representative laboratory experiments. While hard to quantify, soft factors such as process robustness are at least as important for judging the quality of a chemical process.…”

Section: ■ Characterizing Chemical Processesmentioning

confidence: 99%

Using Data Analysis To Evaluate and Compare Chemical Syntheses

Kaiser

Yang²,

Wuitschik

2018

Org. Process Res. Dev.

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We present ChemPager, a freely available tool for systematically evaluating chemical syntheses. By processing and visualizing chemical data, the impact of past changes is uncovered and future work guided. The tool calculates commonly used metrics such as process mass intensity (PMI), Volume−Time Output, and production costs. Also, a set of scores is introduced aiming to measure crucial but elusive characteristics such as process robustness, design, and safety. Our tool employs a hierarchical data layout built on common software for data entry (Excel, Google Sheets, etc.) and visualization (Spotfire). With all project data being stored in one place, cross-project comparison and data aggregation becomes possible as well as cross-linking with other data sources or visualizations.

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Section: ■ Characterizing Chemical Processesmentioning

confidence: 99%

Using Data Analysis To Evaluate and Compare Chemical Syntheses

Kaiser

Yang²,

Wuitschik

2018

Org. Process Res. Dev.

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“…Development of design space at the drug substance manufacturing stage is not discussed at length in the current work, which focuses on the manufacture of drug product. However, it is extensively discussed in the literature [21][22][23][24]. The remainder of this section focuses on the identification of critical process parameters for the drug product manufacturing process.…”

Section: Identification Of Critical Process Parametersmentioning

confidence: 99%

Mathematical Tools for the Quantitative Definition of a Design Space

Rogers

Ierapetritou

2016

Methods in Pharmacology and Toxicology

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This chapter focuses on the application of process modeling to determination of design space for pharmaceutical manufacturing processes. The first two sections define design space and related terms from a regulatory perspective and discuss how these apply in practice during pharmaceutical process development. In Sect. 3, a variety of mathematical techniques that can be used to guide design space development are introduced. An emphasis is placed on the use of feasibility analysis and the relationship between process feasibility and design space. Statistical techniques, including latent variable and Bayesian methods, are also discussed in detail. For methods that have been reported in the literature for pharmaceutical manufacturing applications, an overview of the relevant case studies is provided. If methods have not yet been applied to pharmaceutical processes, potential applications for these techniques are indicated. To illustrate the applicability of these concepts to pharmaceutical manufacturing processes, a brief case study is presented in Sect. 4. A discussion of design space verification and issues related to scale-up is provided in Sect. 5. Finally a brief summary of the concepts presented and their potential role in design space development for pharmaceutical processes is given in Sect. 6. This chapter is intended to provide readers with an understanding of mathematical techniques that can be used during process development to assist in the determination of process design space. An overview of the problem formulation and solution approaches for each method are presented. More detailed mathematical developments for each technique are available in the references provided. Table 1 provides a list of symbols that are used throughout this chapter, while Table 2 describes acronyms used within this chapter.

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“…Challenges faced by today's synthetic organic chemists when trying to access highly-functionalized small molecules are evolving rapidly due to the new safety and economic needs imposed by our society [1]. In this sense, finding new ways of perfecting (i) chemo-, regio-and stereo-selectivities, (ii) functional group tolerance and (iii) reaction yields, have been always present, but, with the end of last century, a new awareness arose to produce chemicals and materials also under mild reaction conditions [2].…”

Section: Introductionmentioning

confidence: 99%

One-Pot Combination of Metal- and Bio-Catalysis in Water for the Synthesis of Chiral Molecules

2018

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During the last decade, the combination of different metal-and bio-catalyzed organic reactions in aqueous media has permitted the flourishing of a variety of one-pot asymmetric multi-catalytic reactions devoted to the construction of enantiopure and high added-value chemicals under mild reaction conditions (usually room temperature) and in the presence of air. Herein, a comprehensive account of the state-of-the-art in the development of catalytic networks by combining metallic and biological catalysts in aqueous media (the natural environment of enzymes) is presented. Among others, the combination of metal-catalyzed isomerizations, cycloadditions, hydrations, olefin metathesis, oxidations, C-C cross-coupling and hydrogenation reactions, with several biocatalyzed transformations of organic groups (enzymatic reduction, epoxidation, halogenation or ester hydrolysis), are discussed.

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The Eight Criteria Defining a Good Chemical Manufacturing Process

Cited by 116 publications

References 38 publications

Using Data Analysis To Evaluate and Compare Chemical Syntheses

Using Data Analysis To Evaluate and Compare Chemical Syntheses

Mathematical Tools for the Quantitative Definition of a Design Space

One-Pot Combination of Metal- and Bio-Catalysis in Water for the Synthesis of Chiral Molecules

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