Crystallography Open Database
Search results
Result: there are 85 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Organic Process Research & Development'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1552851 | CIF | C26 H25 Cl N2 O3 | P 1 21/n 1 | 7.627; 38.007; 8.5629 90; 108.118; 90 | 2359.1 | Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M. Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography Organic Process Research & Development, 2018, 22, 1365 |
| 1552852 | CIF | C20 H17 F2 N O3 | P 1 21 1 | 10.0671; 10.4134; 16.284 90; 97.398; 90 | 1692.89 | Smith, Aaron C.; Kung, Daniel W.; Shavnya, Andre; Brandt, Thomas A.; Dent, Philip D.; Genung, Nathan E.; Cabral, Shawn; Panteleev, Jane; Herr, Michael; Yip, Ka Ning; Aspnes, Gary E.; Conn, Edward L.; Dowling, Matthew S.; Edmonds, David J.; Edmonds, Ian D.; Fernando, Dilinie P.; Herrinton, Paul M.; Keene, Nandell F.; Lavergne, Sophie Y.; Li, Qifang; Polivkova, Jana; Rose, Colin R.; Thuma, Benjamin A.; Vetelino, Michael G.; Wang, Guoqiang; Weaver, John D.; Widlicka, Daniel W.; Price Wiglesworth, Kristin E.; Xiao, Jun; Zahn, Todd; Zhang, Yingxin Evolution of the Synthesis of AMPK Activators for the Treatment of Diabetic Nephropathy: From Three Preclinical Candidates to the Investigational New Drug PF-06409577 Organic Process Research & Development, 2018, 22, 681 |
| 1552853 | CIF | C10 H10 N2 O3 S | P -1 | 5.9578; 9.7092; 10.302 106.092; 104.979; 94.998 | 544.97 | Luo, Zhongfeng; Liu, Tingting; Guo, Weijie; Wang, Zijia; Huang, Jingjun; Zhu, Yulin; Zeng, Zhuo N-Acyl-5,5-dimethylhydantoin, a New Mild Acyl-Transfer Reagent in Pd Catalysis: Highly Efficient Synthesis of Functionalized Ketones Organic Process Research & Development, 2018, 22, 1188 |
| 1554185 | CIF | C34 H40 N2 O7 S | P 1 21 1 | 14.24; 14.762; 16.651 90; 107.263; 90 | 3342.5 | Yamamoto, Kosuke; Ishimaru, Shota; Oyama, Tatsuya; Tanigawa, Satoko; Kuriyama, Masami; Onomura, Osamu Enantioselective Synthesis of α-Substituted Serine Derivatives via Cu-Catalyzed Oxidative Desymmetrization of 2-Amino-1,3-diols Organic Process Research & Development, 2019, 23, 660 |
| 1554186 | CIF | C17 H31 I N6 Sn | P 1 21/n 1 | 18.3878; 12.7469; 19.6536 90; 93.725; 90 | 4596.83 | Akin, Anne; Barilla, Mark T.; Brandt, Thomas A.; Brennan, John; Henegar, Kevin E.; Hoagland, Steve; Kumar, Rajesh; Magano, Javier; McInturff, Emma L.; Nematalla, Asaad; Piotrowski, David W.; Van Haitsma, Jared; Wei, Liuqing; Xiao, Jun; Yu, Shu Overcoming the Challenges of Making a Single Enantiomer N-1 Substituted Tetrazole Prodrug Using a Tin-Mediated Alkylation and Enzymatic Resolution Organic Process Research & Development, 2019, 23, 1167 |
| 1554187 | CIF | C24 H35 B N2 O4 S | P 1 21 1 | 11.4365; 7.5623; 15.4088 90; 110.202; 90 | 1250.67 | Kim, Jeongho; Hwang, Chiwon; Kim, Youngmin; Cho, Seung Hwan Improved Synthesis of β-Aminoboronate Esters via Copper-Catalyzed Diastereo- and Enantioselective Addition of 1,1-Diborylalkanes to Acyclic Arylaldimines Organic Process Research & Development, 2019, 23, 1663 |
| 1554188 | CIF | C61 H55 B F24 Fe P2 Pd | C 1 2/c 1 | 18.908; 17.101; 38.301 90; 97.4; 90 | 12281 | Kuwano, Ryoichi; Yokogi, Masashi; Sakai, Ken; Masaoka, Shigeyuki; Miura, Takashi; Won, Sungyong Room-Temperature Benzylic Alkylation of Benzylic Carbonates: Improvement of Palladium Catalyst and Mechanistic Study Organic Process Research & Development, 2019, 23, 1568 |
| 1556259 | CIF | C18 H19 N3 O3 | P 31 | 11.1056; 11.1056; 11.3593 90; 90; 120 | 1213.29 | Sammons, Matthew; Jennings, Sandra M.; Herr, Michael; Hulford, Catherine A.; Wei, Liuqing; Hallissey, James F.; Kiser, E. Jason; Wright, Stephen W.; Piotrowski, David W. Synthesis of a cis 2,5-Disubstituted Morpholine by De-epimerization: Application to the Multigram Scale Synthesis of a Mineralocorticoid Antagonist Organic Process Research & Development, 2013, 17, 934 |
| 1557054 | CIF | C20 H14 I N | P c c n | 16.5305; 18.7386; 10.5281 90; 90; 90 | 3261.2 | Martinez, Thibaut; Alahyen, Ismail; Lemière, Gilles; Mouriès-Mansuy, Virginie; Fensterbank, Louis Straightforward Access to 2-Iodoindolizines via Iodine-Mediated Cyclization of 2-Pyridylallenes Organic Process Research & Development, 2020 |
| 1557328 | CIF | C15 H16 N2 O4 | P 1 21 1 | 6.9821; 8.6527; 11.9259 90; 105.761; 90 | 693.4 | Benedetti, Françoise; Perrin, Marc-Antoine; Bosc, Sebastien; Chouteau, Franck; Champion, Nicolas; Bigot, Antony Total Synthesis of (+)-Oxo-tomaymycin Organic Process Research & Development, 2020 |
| 1557354 | CIF | C35 H37 Cl2 N O P2 Ru S | P 1 21/c 1 | 12.599; 9.671; 27.353 90; 98.957; 90 | 3292.2 | Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020 |
| 1557355 | CIF | C41 H41 Cl2 N O P2 Ru S | P 1 21/n 1 | 17.8808; 10.6576; 19.6658 90; 96.36; 90 | 3724.6 | Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020 |
| 1557356 | CIF | C38 H43 Cl2 N O P2 Ru S | P 1 21/c 1 | 11.84; 31.81; 10.563 90; 111.468; 90 | 3702 | Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020 |
| 1557357 | CIF | C40 H39 Cl2 N O P2 Ru S | P b c a | 10.2315; 22.51; 31.197 90; 90; 90 | 7185 | Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020 |
| 1557358 | CIF | C36 H39 Cl4 N P2 Ru S | P -1 | 10.4094; 13.855; 13.8759 72.843; 74.273; 73.643 | 1795.8 | Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020 |
| 1557359 | CIF | C38 H43 Cl2 N P2 Ru S | P 1 21/c 1 | 10.1683; 17.5052; 20.3353 90; 100.513; 90 | 3558.9 | Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020 |
| 1557721 | CIF | C32 H41 F6 Mn N7 O7 S2 | P 21 21 21 | 9.2868; 18.0311; 22.9054 90; 90; 90 | 3835.54 | Beaver, Matthew G.; Shi, Xianqing; Riedel, Jan; Patel, Parth; Zeng, Alicia; Corbett, Michael T.; Robinson, Jo Anna; Parsons, Andrew T.; Cui, Sheng; Baucom, Kyle; Lovette, Michael A.; Içten, Elçin; Brown, Derek B.; Allian, Ayman; Flick, Tawnya G.; Chen, Wendy; Yang, Ning; Walker, Shawn D. Continuous Process Improvement in the Manufacture of Carfilzomib, Part 2: An Improved Process for Synthesis of the Epoxyketone Warhead Organic Process Research & Development, 2020, 24, 490-499 |
| 1558667 | CIF | C24.38 H28.5 F1.5 N3 O5.62 | P 31 2 1 | 20.704; 20.704; 13.5643 90; 90; 120 | 5035.4 | Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020 |
| 1558668 | CIF | C32.33 H39 F2 N5.67 O7 | P 21 21 21 | 12.805; 23.973; 32.637 90; 90; 90 | 10019 | Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020 |
| 1558669 | CIF | C24.75 H29.25 F1.5 N3 O5.62 | P 31 2 1 | 20.7; 20.7; 13.6652 90; 90; 120 | 5070.9 | Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020 |
| 1558670 | CIF | C20 H33 F2 N O4 | P 1 | 8.6196; 10.2451; 12.2006 106.432; 94.759; 90.868 | 1029.01 | Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly Organic Process Research & Development, 2020 |
| 1558671 | CIF | C20 H33 F2 N O4 | P 1 | 9.4358; 10.0861; 11.3101 94.68; 91.031; 97.524 | 1063.11 | Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly Organic Process Research & Development, 2020 |
| 1558672 | CIF | C20 H33 F2 N O4 | P 1 | 8.6295; 10.2499; 12.1993 106.366; 94.675; 90.873 | 1031.06 | Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly Organic Process Research & Development, 2020 |
| 1558891 | CIF | C10 H15 N2 O6.5 | P 21 21 2 | 7.1184; 28.602; 5.6452 90; 90; 90 | 1149.4 | Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology Organic Process Research & Development, 2020 |
| 1558892 | CIF | C10 H18 N2 O8 | P 21 21 21 | 7.2564; 10.1171; 17.2505 90; 90; 90 | 1266.42 | Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology Organic Process Research & Development, 2020 |
| 1558893 | CIF | C10 H14 N2 O6 | P 21 21 21 | 7.1273; 9.0099; 17.154 90; 90; 90 | 1101.57 | Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology Organic Process Research & Development, 2020 |
| 1559089 | CIF | C22 H30 Cl Ir N O | P 1 21/c 1 | 10.4344; 12.4456; 16.3498 90; 96.795; 90 | 2108.31 | Shimizu, Hideo; Maeda, Hironori; Nara, Hideki Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System Organic Process Research & Development, 2020 |
| 1559090 | CIF | C22 H30 Cl Ir N O2 | P 1 21/n 1 | 8.6176; 9.8322; 26.348 90; 96.471; 90 | 2218.24 | Shimizu, Hideo; Maeda, Hironori; Nara, Hideki Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System Organic Process Research & Development, 2020 |
| 1559096 | CIF | C11 H15 B Br F3 N2 O2 | C 1 2/c 1 | 20.0884; 7.2756; 20.7899 90; 99.331; 90 | 2998.3 | Tairov, Maxim A.; Levchenko, Vitalina; Stadniy, Ivan A.; Dmytriv, Yurii V.; Dehtiarov, Serhii O.; Kibalnyi, Mykola O.; Melnyk, Anton V.; Veselovych, Stanislav Y.; Borodulin, Yurii V.; Kolotilov, Sergey V.; Ryabukhin, Sergey V.; Volochnyuk, Dmitriy M. Practical Synthetic Method for Functionalized 1-Methyl-3/5-(trifluoromethyl)-1H-pyrazoles Organic Process Research & Development, 2020 |
| 1559125 | CIF | C11 H18 N5 O4 P | P 1 21/c 1 | 6.5143; 26.599; 7.9568 90; 101.771; 90 | 1349.7 | Connor, Christina G.; DeForest, Jacob C.; Dietrich, Phil; Do, Nga M.; Doyle, Kevin M.; Eisenbeis, Shane; Greenberg, Elizabeth; Griffin, Sarah H.; Jones, Brian P.; Jones, Kris N.; Karmilowicz, Michael; Kumar, Rajesh; Lewis, Chad A.; McInturff, Emma L.; McWilliams, J. Christopher; Mehta, Ruchi; Nguyen, Bao D.; Rane, Anil M.; Samas, Brian; Sitter, Barbara J.; Ward, Howard W.; Webster, Mark E. Development of a Nitrene-Type Rearrangement for the Commercial Route of the JAK1 Inhibitor Abrocitinib Organic Process Research & Development, 2020 |
| 1559378 | CIF | C12 H17 Br N O | C 1 2/c 1 | 22.5044; 8.2479; 16.3708 90; 126.325; 90 | 2448.15 | Peng, Feng; Humphrey, Guy R.; Maloney, Kevin M.; Lehnherr, Dan; Weisel, Mark; Lévesque, Francois; Naber, John R.; Brunskill, Andrew P. J.; Larpent, Patrick; Zhang, Si-Wei; Lee, Alfred Y.; Arvary, Rebecca A.; Lee, Claire H.; Bishara, Daniel; Narsimhan, Karthik; Sirota, Eric; Whittington, Michael Development of a Green and Sustainable Manufacturing Process for Gefapixant Citrate (MK-7264) Part 2: Development of a Robust Process for Phenol Synthesis Organic Process Research & Development, 2020 |
| 1559548 | CIF | C13 H15 Br F N O | P c a 21 | 16.2421; 5.0967; 30.102 90; 90; 90 | 2491.9 | Leung, Joyce C.; Nguyen, Thach T.; Krawiec, Mariusz; Gao, Donghong A.; Reeves, Jonathan T. Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation Organic Process Research & Development, 2020 |
| 1559553 | CIF | C39 H42 Br Cl N2 O6 S | C 2 2 21 | 12.0049; 17.7292; 35.641 90; 90; 90 | 7585.7 | St-Pierre, Gabrielle; Cherney, Alan H.; Chen, Wencan; Dong, Xiaofei; Dornan, Peter K.; Griffin, Daniel J.; Houk, K. N.; Lin, Janice B.; Osgood, Stephen; Silva Elipe, Maria V.; Timmons, Heath C.; Xie, Yong; Tedrow, Jason S.; Thiel, Oliver R.; Smith, Austin G. Accelerated Development of a Scalable Ring-Closing Metathesis to Manufacture AMG 176 Using a Combined High-Throughput Experimentation and Computational Modeling Approach Organic Process Research & Development, 2020 |
| 1561044 | CIF | C44 H50 F2 N2 O6 S4 | P 21 21 21 | 9.7957; 14.9403; 30.1708 90; 90; 90 | 4415.5 | Karmakar, Ananta; Nimje, Roshan Y.; Silamkoti, Arundutt; Pitchai, Manivel; Basha, Mushkin; Singarayer, Christuraj; Ramasamy, Duraisamy; Babu, G. T. Venkatesh; Samikannu, Ramesh; Subramaniam, Srinath; Anjanappa, Prakash; Vetrichelvan, Muthalagu; Kumar, Hemantha; Dikundwar, Amol G.; Gupta, Anuradha; Gupta, Arun Kumar; Rampulla, Richard; Dhar, T. G. Murali; Mathur, Arvind Practical Synthesis of (3aR, 9bR)-8-Fluoro-7-(perfluoropropan-2-yl)-9b-(phenylsulfonyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole: An Advanced Intermediate to Access the RORγt Inverse Agonist BMT-362265 Organic Process Research & Development, 2021 |
| 1563712 | CIF | C26 H34 Cl N7 O7 S | P 1 21 1 | 9.5141; 30.3107; 11.2831 90; 114.793; 90 | 2953.9 | Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab Insight into the Formation of Heteromolecular Hydrogen Bonds between Dasatinib and GRAS Molecules Organic Process Research & Development, 2021 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!