Researchgate

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Individually, or as an integrated chemical workstation, these tools provide critical support for better synthesis reactions:


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EasySampler is an automated, unattended giải pháp công nghệ delivering representative and reproducible samples. The probe-based công nghệ has a micro-pocket, which takes samples at any given time, quenches in-situ and dilutes for ready to analyze offline samples. 

EasySampler supports reaction understanding by providing samples on demvà. Sampling is performed under reaction conditions, making it truly representative. The samples, once collected & time stamped, can be analyzed via offline analytical methods and the result integrated baông xã inkhổng lồ the data stream. An additional value lies in the increased data quality through automatic và seamless data collection. The increased accuracy và precision of automated sampling provides higher quality versus manual sampling. 


Synthesis Reaction Examples


Metal-Catalyzed Reactions

Automated Chemistry Solutions for Synthesis Reactions in Industry-Related Publications


Below is a selection of publications where automated solutionsare used for synthesis reactions.

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Yang, H. S., Maphụ vương, L., Ha, H. J., và Yang, J. W. (2021). Functionalisation of esters via 1,3-chelation using NaOtBu: mechanistic investigations and synthetic applications.Organic Chemistry Frontiers,8(1), 53–60. https://doi.org/10.1039/d0qo01135eMillward, M. J., Ellis, E., Ward, J. W., & Clayden, J. (2021). Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions inkhổng lồ aromatic C–N bonds.Chemical Science,12(6), 2091–2096. https://doi.org/10.1039/d0sc06188cJurica, J. A., và McMullen, J. P. (2021). Automation Technologies lớn Enable Data-Rich Experimentation: Beyond Design of Experiments for Process Modeling in Late-Stage Process Development.Organic Process Research & Development,25(2), 282–291. https://doi.org/10.1021/acs.oprd.0c00496Shi, Y., Prielớn, P. L., Zepel, T., Grunert, S., & Hein, J. E. (2021). Automated Experimentation Powers Data Science in Chemistry.Accounts of Chemical Retìm kiếm,54(3), 546–555. https://doi.org/10.1021/acs.accounts.0c00736Connor, C. G., DeForest, J. C., Dietrich, P., Do, N. M., Doyle, K. M., Eisenbeis, S., Greenberg, E., Griffin, S. H., Jones, B. Phường., Jones, K. N., Karmilowicz, M., Kumar, R., Lewis, C. A., McInturff, E. L., McWilliams, J. C., Mehta, R., Nguyen, B. D., Rane, A. M., Samas, B., . . . Webster, M. E. (2020). Development of a Nitrene-Type Rearrangement for the Commercial Route of the JAK1 Inhibitor Abrocitinib.Organic Process Retìm kiếm & Development,25(3), 608–615. https://doi.org/10.1021/acs.oprd.0c00366Glace, A. W., Cohen, B. M., Dixon, D. D., Beutner, G. L., Vanyo, D., Akpinar, F., Rosso, V., Fraunhoffer, K. J., DelMonte, A. J., Santamãng cầu, E., Wilbert, C., Gallo, F., và Bartels, W. (2020). Safe Scale-up of an Oxygen-Releasing Cleavage of Evans Oxazolidinone with Hydrogen Peroxide.Organic Process Retìm kiếm & Development,24(2), 172–182. https://doi.org/10.1021/acs.oprd.9b00462Benkovics, T., McIntosh, J., Silverman, S., Kong, J., Maligres, P., Itoh, T., Yang, H., Huffman, M., Verma, D., Pan, W., Ho, H. I., Vroom, J., Knight, A., Hurtak, J., Morris, W., Strotman, N., Murphy, G., Maloney, K., và Fier, Phường. (2020). Evolving to lớn an Ideal Synthesis of Molnupiravir, an Investigational Treatment for COVID-19.ChemRxiv. Published. https://doi.org/10.26434/chemrxiv.13472373.v1Mennen, S. M., Alhambra, C., Allen, C. L., Barberis, M., Berritt, S., Brandt, T. A., Campbell, A. D., Castañón, J., Cherney, A. H., Christensen, M., Damon, D. B., Eugenio de Diego, J., García-Cerradomain authority, S., García-Losadomain authority, P.., Haro, R., Janey, J., Leitch, D. C., Li, L., Liu, F., . . . Zajac, M. A. (2019). The Evolution of High-Throughput Experimentation in Pharmaceutical Development and Perspectives on the Future.Organic Process Retìm kiếm và Development,23(6), 1213–1242. https://doi.org/10.1021/acs.oprd.9b00140Wang, K., Han, L., Mustakis, J., Li, B., Magano, J., Damon, D. B., Dion, A., Maloney, M. T., Post, R., & Li, R. (2019). Kinetic và Data-Driven Reaction Analysis for Pharmaceutical Process Development.Industrial và Engineering Chemistry Retìm kiếm,59(6), 2409–2421. https://doi.org/10.1021/acs.iecr.9b03578

Featured Article: Understanding α,β-Unsaturated Imine Formation

Determine Relative Reaction Rates và Further Mechanistic Understanding


Calow, A. D. J., Carbó, J. J., Cid, J., Fernández, E., và Whiting, A. (2014). Understanding α,β-Unsaturated Imine Formation from Amine Additions lớn α,β-Unsaturated Aldehydes and Ketones: An Analytical and Theoretical Investigation.The Journal of Organic Chemistry,79(11), 5163–5172. In previous work, the researchers had reported a catalytic method lớn synthekích cỡ chiral γ-amino alcohols via in situ generation of α,β-unsaturated imines. They stated that there was a lack of kinetic or mechanistic studies regarding the relative 1,2- versus 1,4- addition of primary amines to lớn α,β-unsaturated aldehydes & ketones. To further this understanding, the researchers used in situ ReactIR spectroscopy along with NMR studies & DFT calculations, khổng lồ better characterize the addition of primary amines lớn α,β-unsaturated aldehydes and ketones (1,2- vs 1,4-addition) và examine the relative rates of these reactions.

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ReactIR data showed that when benzylamine was added to crotonaldehyde, 1,2- addition resulted exclusively whereas when benzylamine was added to methyl vinyl ketone, 1,4- addition resulted exclusively.

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This trắng paper, COVID-19 Recovery in Chemical R&D – Journey to lớn the New Normal, discusses the implications of the global pandemic, as well as how scientists in organizations that made investments in automation for understanding và controlling processes were able khổng lồ remain agile and productive sầu during site restrictions and closures.


Ấn phẩm


Additional Resources


Reaction Insight from Every Experiment
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Asymmetric organocatalytic hydrogenation of benzoxazines in continuous-flow microreactors as a metal-free alternative sầu were studied. Coupling inline ngươi...
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In Pfizer"s synthetic chemistry and process development labs, an automated và robust line method is used khổng lồ take representative samples from reaction...

Chuyên mục: literature