{"title":"On Scalability, Synthetic Efficiency, and Convergency","authors":"Vittorio Farina","doi":"10.1021/acs.oprd.5c00030","DOIUrl":null,"url":null,"abstract":"Terms like <i>scalability</i>, <i>synthetic efficiency</i>, and <i>convergency</i> are often used by development chemists to qualify the merits of their processes. However, these are often qualitative designations, devoid of any quantitative assessment. We propose some guidelines to support the judicious use of these terms. In particular, we would like to bring to the attention of process chemists the work of J. B. Hendrickson, who─almost 50 years ago─first proposed a meaningful quantitative evaluation of a synthetic plan and defined <i>consistency</i> and <i>convergency</i> in a quantitative way. After a brief analysis of the term <i>scalability</i>, this perspective presents a simplified version of Hendrickson’s ideas and extends it to multicomponent reactions. The metrics proposed herein are very easy to use and should allow chemists to verify the efficiency of their synthetic plan by calculating a <i>consistency index</i> and a <i>convergency index</i> which could complement qualitative descriptors like “efficient process” or “highly convergent synthesis”.","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"33 1","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Organic Process Research & Development","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acs.oprd.5c00030","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
引用次数: 0
摘要
开发化学家经常使用可扩展性、合成效率和收敛性等术语来评价其工艺的优劣。然而,这些术语通常都是定性的,缺乏任何定量评估。我们提出了一些指导原则,以支持合理使用这些术语。特别是,我们希望提请工艺化学家注意 J. B. Hendrickson 的工作,他在近 50 年前首次提出了对合成计划进行有意义的定量评估,并以定量的方式定义了一致性和收敛性。在简要分析了可扩展性这一术语之后,本章提出了亨德里克森思想的简化版本,并将其扩展到多组分反应。本文提出的指标非常容易使用,化学家可以通过计算一致性指数和收敛性指数来验证其合成计划的效率,从而补充 "高效工艺 "或 "高收敛性合成 "等定性描述。
On Scalability, Synthetic Efficiency, and Convergency
Terms like scalability, synthetic efficiency, and convergency are often used by development chemists to qualify the merits of their processes. However, these are often qualitative designations, devoid of any quantitative assessment. We propose some guidelines to support the judicious use of these terms. In particular, we would like to bring to the attention of process chemists the work of J. B. Hendrickson, who─almost 50 years ago─first proposed a meaningful quantitative evaluation of a synthetic plan and defined consistency and convergency in a quantitative way. After a brief analysis of the term scalability, this perspective presents a simplified version of Hendrickson’s ideas and extends it to multicomponent reactions. The metrics proposed herein are very easy to use and should allow chemists to verify the efficiency of their synthetic plan by calculating a consistency index and a convergency index which could complement qualitative descriptors like “efficient process” or “highly convergent synthesis”.
期刊介绍:
The journal Organic Process Research & Development serves as a communication tool between industrial chemists and chemists working in universities and research institutes. As such, it reports original work from the broad field of industrial process chemistry but also presents academic results that are relevant, or potentially relevant, to industrial applications. Process chemistry is the science that enables the safe, environmentally benign and ultimately economical manufacturing of organic compounds that are required in larger amounts to help address the needs of society. Consequently, the Journal encompasses every aspect of organic chemistry, including all aspects of catalysis, synthetic methodology development and synthetic strategy exploration, but also includes aspects from analytical and solid-state chemistry and chemical engineering, such as work-up tools,process safety, or flow-chemistry. The goal of development and optimization of chemical reactions and processes is their transfer to a larger scale; original work describing such studies and the actual implementation on scale is highly relevant to the journal. However, studies on new developments from either industry, research institutes or academia that have not yet been demonstrated on scale, but where an industrial utility can be expected and where the study has addressed important prerequisites for a scale-up and has given confidence into the reliability and practicality of the chemistry, also serve the mission of OPR&D as a communication tool between the different contributors to the field.