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Impact of Reactant Dissolution in the Kinetics of a Catalytic Hydrogenation for the Production of Argatroban 反应物溶解对阿加曲班催化加氢反应动力学的影响
IF 3.1 3区 化学
Organic Process Research & Development Pub Date : 2025-03-11 DOI: 10.1021/acs.oprd.4c0047910.1021/acs.oprd.4c00479
Filippo Nanto*, Dario Ciato, Mariano Stivanello and Paolo Canu, 
{"title":"Impact of Reactant Dissolution in the Kinetics of a Catalytic Hydrogenation for the Production of Argatroban","authors":"Filippo Nanto*,&nbsp;Dario Ciato,&nbsp;Mariano Stivanello and Paolo Canu,&nbsp;","doi":"10.1021/acs.oprd.4c0047910.1021/acs.oprd.4c00479","DOIUrl":"https://doi.org/10.1021/acs.oprd.4c00479https://doi.org/10.1021/acs.oprd.4c00479","url":null,"abstract":"<p >An experimental study was performed for a fed-batch catalytic hydrogenation for the production of Argatroban. The penultimate expensive and scarcely available intermediate is characterized by a slow dissolution rate that evolves in parallel with the reaction process. The study investigated the coupling between the reaction and dissolution kinetics. In these circumstances, the standard Area Percentage method in HPLC was found to be misleading, requiring calibration and then absolute peak area measurements to correctly identify the dissolution rate and thus the actual chemical kinetics. Experiments quantified the role of the temperature, stirring rate, and catalyst loading. Shifting from 40 to 80 °C reduced the batch time by 58%, although higher temperatures promoted the formation of undesired impurities. Stirring rate controlled the initial reaction phases when reagent dissolution is critical. Catalyst loading is key in reducing batch time. The increase in catalyst loading was proved to affect the reagent dissolution rate, by increasing the collision frequency between reagent and catalyst particles. A refined first-principles model, incorporating the effect of the catalyst amount on the dissolution mass transfer coefficient, significantly improved the accuracy of dissolution predictions and enabled better identification of the intrinsic reaction kinetics. The addition of a microkinetic description further improved the predictions of intermediates and products.</p>","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"29 3","pages":"735–747 735–747"},"PeriodicalIF":3.1,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.oprd.4c00479","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666960","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Impact of Reactant Dissolution in the Kinetics of a Catalytic Hydrogenation for the Production of Argatroban 反应物溶解对阿加曲班催化加氢反应动力学的影响
IF 3.4 3区 化学
Organic Process Research & Development Pub Date : 2025-03-11 DOI: 10.1021/acs.oprd.4c00479
Filippo Nanto, Dario Ciato, Mariano Stivanello, Paolo Canu
{"title":"Impact of Reactant Dissolution in the Kinetics of a Catalytic Hydrogenation for the Production of Argatroban","authors":"Filippo Nanto, Dario Ciato, Mariano Stivanello, Paolo Canu","doi":"10.1021/acs.oprd.4c00479","DOIUrl":"https://doi.org/10.1021/acs.oprd.4c00479","url":null,"abstract":"An experimental study was performed for a fed-batch catalytic hydrogenation for the production of Argatroban. The penultimate expensive and scarcely available intermediate is characterized by a slow dissolution rate that evolves in parallel with the reaction process. The study investigated the coupling between the reaction and dissolution kinetics. In these circumstances, the standard Area Percentage method in HPLC was found to be misleading, requiring calibration and then absolute peak area measurements to correctly identify the dissolution rate and thus the actual chemical kinetics. Experiments quantified the role of the temperature, stirring rate, and catalyst loading. Shifting from 40 to 80 °C reduced the batch time by 58%, although higher temperatures promoted the formation of undesired impurities. Stirring rate controlled the initial reaction phases when reagent dissolution is critical. Catalyst loading is key in reducing batch time. The increase in catalyst loading was proved to affect the reagent dissolution rate, by increasing the collision frequency between reagent and catalyst particles. A refined first-principles model, incorporating the effect of the catalyst amount on the dissolution mass transfer coefficient, significantly improved the accuracy of dissolution predictions and enabled better identification of the intrinsic reaction kinetics. The addition of a microkinetic description further improved the predictions of intermediates and products.","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"32 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600005","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Efficient and Scalable Diastereoselective Synthesis of ((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol Hydrochloride 高效可扩展非对映选择性合成(（2R,7aS)-2-氟四氢- 1h -吡咯利嗪-7a(5H)-基）甲醇盐酸盐
IF 3.1 3区 化学
Organic Process Research & Development Pub Date : 2025-03-11 DOI: 10.1021/acs.oprd.4c0046210.1021/acs.oprd.4c00462
Rulin Zhao*, Zhenqiu Hong, Bei Wang, Daniel Smith, Joseph M. Pawluczyk, Shishir Chourey, Roshan Y Nimje*, Basavraj Koli, Manibalan Chidambaram, Ramakrishna Panchakharla, Anuradha Gupta, Pravin Shirude, Brian Fink, James Kempson and Arvind Mathur, 
{"title":"Efficient and Scalable Diastereoselective Synthesis of ((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol Hydrochloride","authors":"Rulin Zhao*,&nbsp;Zhenqiu Hong,&nbsp;Bei Wang,&nbsp;Daniel Smith,&nbsp;Joseph M. Pawluczyk,&nbsp;Shishir Chourey,&nbsp;Roshan Y Nimje*,&nbsp;Basavraj Koli,&nbsp;Manibalan Chidambaram,&nbsp;Ramakrishna Panchakharla,&nbsp;Anuradha Gupta,&nbsp;Pravin Shirude,&nbsp;Brian Fink,&nbsp;James Kempson and Arvind Mathur,&nbsp;","doi":"10.1021/acs.oprd.4c0046210.1021/acs.oprd.4c00462","DOIUrl":"https://doi.org/10.1021/acs.oprd.4c00462https://doi.org/10.1021/acs.oprd.4c00462","url":null,"abstract":"<p >An efficient large-scale synthesis of <b>2a</b>·HCl, a key fragment to several KRAS inhibitors, is described. Optimization to a previously reported racemic route by Merck includes the development of a catalytic exocyclic olefin oxidation using RuCl<sub>3</sub>/NaIO<sub>4</sub>, followed by a highly diastereoselective reduction of the resulting ketone. A second-generation approach was then developed. The highlight of this synthesis includes a one-step intramolecular nucleophilic ring cyclization of <b>35a</b> or <b>35b</b> via a stable chelate with lithium cation <b>38</b> to give a stereoselective product, bicyclic scaffold <b>36a,</b> with excellent diastereoselectivity and good yields. Consecutive deoxyfluorination followed by the reduction of benzyl ester <b>37a</b> afforded <b>2a</b>·HCl without the need for chiral separation utilized in the first-generation approach.</p>","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"29 3","pages":"704–715 704–715"},"PeriodicalIF":3.1,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143667113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel and Cost-Effective Manufacturing Process Development of Daprodustat 新型高效生产工艺的开发
IF 3.1 3区 化学
Organic Process Research & Development Pub Date : 2025-03-11 DOI: 10.1021/acs.oprd.5c0004110.1021/acs.oprd.5c00041
Amarendhar Manda, Debjit Basu, Pavani Sankar Reddy, Pradeep Muttabattula, Shravan Kumar Komati, Ranjeet Nair, Gopal Chandru Senadi, Arthanareeswari Maruthapillai* and Rakeshwar Bandichhor*, 
{"title":"Novel and Cost-Effective Manufacturing Process Development of Daprodustat","authors":"Amarendhar Manda,&nbsp;Debjit Basu,&nbsp;Pavani Sankar Reddy,&nbsp;Pradeep Muttabattula,&nbsp;Shravan Kumar Komati,&nbsp;Ranjeet Nair,&nbsp;Gopal Chandru Senadi,&nbsp;Arthanareeswari Maruthapillai* and Rakeshwar Bandichhor*,&nbsp;","doi":"10.1021/acs.oprd.5c0004110.1021/acs.oprd.5c00041","DOIUrl":"https://doi.org/10.1021/acs.oprd.5c00041https://doi.org/10.1021/acs.oprd.5c00041","url":null,"abstract":"<p >Daprodustat is a hypoxia-inducible factor prolyl hydroxylase (HIF-PH) inhibitor indicated for treating anemia in patients with chronic kidney disease (CKD). This study describes a novel, efficient, and robust kilogram-scale manufacturing process for daprodustat starting from commercially available malonic acid by implementing quality by design (QbD) principles. A novel synthetic approach was adopted for the synthesis of methyl (1,3-dicyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycinate by avoiding the use of ethyl isocyanatoacetate and replacing it with methyl glycinate and CDI. To our delight, we achieved a throughput of 76% with over 99% purity for daprodustat, compared to the previously reported throughput of 52%. This approach has enabled us to develop a more environmentally friendly process for synthesizing daprodustat than the prior method.</p>","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"29 3","pages":"953–963 953–963"},"PeriodicalIF":3.1,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143667036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of a New Synthetic Process for Triflumezopyrim and Continuous Flow Attempts 开发新的三氟甲嘧啶合成工艺和连续流尝试
IF 3.1 3区 化学
Organic Process Research & Development Pub Date : 2025-03-11 DOI: 10.1021/acs.oprd.5c0000610.1021/acs.oprd.5c00006
Yuexiang Liu, Derong Wang, Yan Chen, Zhong Li, Weiping Zhu* and Xuhong Qian*, 
{"title":"Development of a New Synthetic Process for Triflumezopyrim and Continuous Flow Attempts","authors":"Yuexiang Liu,&nbsp;Derong Wang,&nbsp;Yan Chen,&nbsp;Zhong Li,&nbsp;Weiping Zhu* and Xuhong Qian*,&nbsp;","doi":"10.1021/acs.oprd.5c0000610.1021/acs.oprd.5c00006","DOIUrl":"https://doi.org/10.1021/acs.oprd.5c00006https://doi.org/10.1021/acs.oprd.5c00006","url":null,"abstract":"<p >Triflumezopyrim (TFM) is a novel class of mesoionic insecticides. Herein, a novel synthetic process for TFM was developed via imidization, reductive amination, and cyclization. Based on toluene as a universal solvent and simplifying postprocessing operations, TFM could be obtained in approx. 26 h with about 40% overall isolated yield, while the <i>E</i>-factor was decreased to 158, which improved the reaction efficiency and eco-friendliness. Subsequently, the synthetic route was attempted in continuous flow, and TFM was prepared in about 32 min with about 30% total isolated yield. Furthermore, by connecting to our previous research, TFM could also be obtained in less than 35 min total reaction time with about 30% yield based on continuous flow total synthesis, which shortened the total reaction residence time by about 48-fold compared to the batch mode and manifested a significant advantage of reaction efficiency in continuous flow.</p>","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"29 3","pages":"909–919 909–919"},"PeriodicalIF":3.1,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143667032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of a New Synthetic Process for Triflumezopyrim and Continuous Flow Attempts 三氟苄吡灵合成新工艺的开发及连续流动试验
IF 3.4 3区 化学
Organic Process Research & Development Pub Date : 2025-03-11 DOI: 10.1021/acs.oprd.5c00006
Yuexiang Liu, Derong Wang, Yan Chen, Zhong Li, Weiping Zhu, Xuhong Qian
{"title":"Development of a New Synthetic Process for Triflumezopyrim and Continuous Flow Attempts","authors":"Yuexiang Liu, Derong Wang, Yan Chen, Zhong Li, Weiping Zhu, Xuhong Qian","doi":"10.1021/acs.oprd.5c00006","DOIUrl":"https://doi.org/10.1021/acs.oprd.5c00006","url":null,"abstract":"Triflumezopyrim (TFM) is a novel class of mesoionic insecticides. Herein, a novel synthetic process for TFM was developed via imidization, reductive amination, and cyclization. Based on toluene as a universal solvent and simplifying postprocessing operations, TFM could be obtained in approx. 26 h with about 40% overall isolated yield, while the <i>E</i>-factor was decreased to 158, which improved the reaction efficiency and eco-friendliness. Subsequently, the synthetic route was attempted in continuous flow, and TFM was prepared in about 32 min with about 30% total isolated yield. Furthermore, by connecting to our previous research, TFM could also be obtained in less than 35 min total reaction time with about 30% yield based on continuous flow total synthesis, which shortened the total reaction residence time by about 48-fold compared to the batch mode and manifested a significant advantage of reaction efficiency in continuous flow.","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"19 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143599063","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel and Cost-Effective Manufacturing Process Development of Daprodustat 新型高效生产工艺的开发
IF 3.4 3区 化学
Organic Process Research & Development Pub Date : 2025-03-11 DOI: 10.1021/acs.oprd.5c00041
Amarendhar Manda, Debjit Basu, Pavani Sankar Reddy, Pradeep Muttabattula, Shravan Kumar Komati, Ranjeet Nair, Gopal Chandru Senadi, Arthanareeswari Maruthapillai, Rakeshwar Bandichhor
{"title":"Novel and Cost-Effective Manufacturing Process Development of Daprodustat","authors":"Amarendhar Manda, Debjit Basu, Pavani Sankar Reddy, Pradeep Muttabattula, Shravan Kumar Komati, Ranjeet Nair, Gopal Chandru Senadi, Arthanareeswari Maruthapillai, Rakeshwar Bandichhor","doi":"10.1021/acs.oprd.5c00041","DOIUrl":"https://doi.org/10.1021/acs.oprd.5c00041","url":null,"abstract":"Daprodustat is a hypoxia-inducible factor prolyl hydroxylase (HIF-PH) inhibitor indicated for treating anemia in patients with chronic kidney disease (CKD). This study describes a novel, efficient, and robust kilogram-scale manufacturing process for daprodustat starting from commercially available malonic acid by implementing quality by design (QbD) principles. A novel synthetic approach was adopted for the synthesis of methyl (1,3-dicyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycinate by avoiding the use of ethyl isocyanatoacetate and replacing it with methyl glycinate and CDI. To our delight, we achieved a throughput of 76% with over 99% purity for daprodustat, compared to the previously reported throughput of 52%. This approach has enabled us to develop a more environmentally friendly process for synthesizing daprodustat than the prior method.","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"17 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143598776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Some Issues and Their Solutions in the Process Development of Ethyl 2-(4-Aminophenoxy)thiazole-5-carboxylate: A Key Intermediate of P2X3 Antagonist P2X3拮抗剂关键中间体- 2-（4-氨基酚氧基）噻唑-5-羧酸乙酯工艺开发中的若干问题及对策
IF 3.1 3区 化学
Organic Process Research & Development Pub Date : 2025-03-11 DOI: 10.1021/acs.oprd.5c0001510.1021/acs.oprd.5c00015
Masahiro Hosoya*, Toshikatsu Maki and Takayuki Tsuritani, 
{"title":"Some Issues and Their Solutions in the Process Development of Ethyl 2-(4-Aminophenoxy)thiazole-5-carboxylate: A Key Intermediate of P2X3 Antagonist","authors":"Masahiro Hosoya*,&nbsp;Toshikatsu Maki and Takayuki Tsuritani,&nbsp;","doi":"10.1021/acs.oprd.5c0001510.1021/acs.oprd.5c00015","DOIUrl":"https://doi.org/10.1021/acs.oprd.5c00015https://doi.org/10.1021/acs.oprd.5c00015","url":null,"abstract":"<p >Ethyl 2-(4-aminophenoxy)thiazole-5-carboxylate is a key intermediate of several P2X<sub>3</sub> antagonists required for clinical trials. The synthesis at the early R&amp;D stage delivered this thiazole derivative via a nucleophilic aromatic substitution reaction in highly variable yields, from 7 to 85%. We describe the process development of the initial route of synthesis carefully considering the reaction conditions, process robustness and safety, operational improvement, and the impact on downstream steps. The optimized process was successfully replicated on a multikg scale in a pilot plant, allowing for the supply of the key intermediate in 90% isolated yield with high purity (&gt;99 area%).</p>","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"29 3","pages":"938–945 938–945"},"PeriodicalIF":3.1,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143667003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Process Development toward the Continuous Manufacturing of Baloxavir Marboxil 巴洛昔韦马博西连续生产工艺的开发
IF 3.4 3区 化学
Organic Process Research & Development Pub Date : 2025-03-10 DOI: 10.1021/acs.oprd.4c00517
Keith S. Barbato, Qinglin Su, Youhua Li, Anjana Ramnath, Wei Wu, Chuntian Hu, Stephen C. Born, Paul Hermant, Paul Stonestreet, Michael Berg, Bayan Takizawa, Salvatore Mascia
{"title":"Process Development toward the Continuous Manufacturing of Baloxavir Marboxil","authors":"Keith S. Barbato, Qinglin Su, Youhua Li, Anjana Ramnath, Wei Wu, Chuntian Hu, Stephen C. Born, Paul Hermant, Paul Stonestreet, Michael Berg, Bayan Takizawa, Salvatore Mascia","doi":"10.1021/acs.oprd.4c00517","DOIUrl":"https://doi.org/10.1021/acs.oprd.4c00517","url":null,"abstract":"We report the initial studies toward the continuous processing of Baloxavir Marboxil, the active pharmaceutical ingredient (API) of Roche’s commercial product Xofluza. The motivation behind this effort is to transition to integrated continuous manufacturing (ICM) as a platform to create an agile and on-demand supply chain capability for a drug that has highly variable market demand. The work described herein includes an improved late-stage synthetic route to Baloxavir Marboxil that (1) reduced a four-step synthesis down to two steps, (2) identified key diastereomeric crystallization conditions to reach required material specifications, and (3) removed the use of <i>N,N</i>-dimethylacetamide in exchange for a more environmentally benign solvent mixture of acetonitrile and water. After a full revision of the two-step synthetic route in batch mode, key unit operations were translated to continuous mode to evaluate their performance. Collectively, this work eliminated 16 unit operations, significantly simplified the process, and is projected to reduce the lead time from 12 months to several days using ICM.","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"203 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143599079","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Manual to Auto-Optimization Platform of Multistep Apixaban Synthesis 手动到自动优化多步阿哌沙班合成平台
IF 3.1 3区 化学
Organic Process Research & Development Pub Date : 2025-03-10 DOI: 10.1021/acs.oprd.4c0053510.1021/acs.oprd.4c00535
Ruchi Chauhan, Abhilash Rana, Amirreza Mottafegh, Dong Pyo Kim and Ajay K. Singh*, 
{"title":"Manual to Auto-Optimization Platform of Multistep Apixaban Synthesis","authors":"Ruchi Chauhan,&nbsp;Abhilash Rana,&nbsp;Amirreza Mottafegh,&nbsp;Dong Pyo Kim and Ajay K. Singh*,&nbsp;","doi":"10.1021/acs.oprd.4c0053510.1021/acs.oprd.4c00535","DOIUrl":"https://doi.org/10.1021/acs.oprd.4c00535https://doi.org/10.1021/acs.oprd.4c00535","url":null,"abstract":"<p >A novel approach has been utilized in a continuous flow auto-optimizer for multistep apixaban (APX) synthesis, cutting residence time to 17.2 min and boosting overall yield by 78%. This AI-driven tool bypasses traditional trial-and-error methods, streamlining reactivity space navigation and enhancing productivity. It is designed to reduce APX production costs, improve space-time yield, and facilitate the transition from batch to continuous manufacturing, addressing critical gaps in the industry and advancing the field of digital smart workflows.</p>","PeriodicalId":55,"journal":{"name":"Organic Process Research & Development","volume":"29 3","pages":"881–888 881–888"},"PeriodicalIF":3.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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