Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Paul-James Jones"'
Publikováno v:
The Journal of Organic Chemistry. 83:5035-5043
NMR chemical shift prediction at the B3LYP/cc-pVDZ level of theory was used to develop a highly accurate probability theory algorithm for the determination of the stereochemistry of diastereomers as well as the regiochemistry. DFT-GIAO calculations w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::885d9114b118b557f3a8af9b1a138253
https://doi.org/10.1021/acs.joc.8b00338
https://doi.org/10.1021/acs.joc.8b00338
Autor:
Klaus Wagner, Reginaldo A. Saraceno, Dongyue Xin, Christofer S. Tautermann, Keith Horspool, Zheng Yang, Om Chaudhary, Nina C. Gonnella, Keith R. Fandrick, C. Avery Sader, Paul-James Jones, Gordon Hansen, Chris H. Senanayake, Carl A. Busacca
Publikováno v:
The Journal of Organic Chemistry. 82:5135-5145
An accurate and efficient procedure was developed for performing 13C NMR chemical shift calculations employing density functional theory with the gauge invariant atomic orbitals (DFT-GIAO). Benchmarking analysis was carried out, incorporating several
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a96efe1bfe3927d59ac0fc8b8472d194
https://doi.org/10.1021/acs.joc.7b00321
https://doi.org/10.1021/acs.joc.7b00321
Autor:
Charles Avery Sader, Nina C. Gonnella, Klaus Wagner, Minli Xing, Udo Fischer, Keith R. Fandrick, Paul-James Jones, Dongyue Xin
Publikováno v:
Organic & Biomolecular Chemistry. 15:928-936
The calculation of 15N NMR chemical shifts has been systematically investigated using density functional theory-gauge including/invariant atomic orbitals (DFT-GIAO) approximation at the B3LYP/cc-pVDZ level of theory. General linear regression terms f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2870149e7380d92f474fa876fe542069
https://doi.org/10.1039/c6ob02450e
https://doi.org/10.1039/c6ob02450e
Autor:
Dongyue, Xin, C Avery, Sader, Om, Chaudhary, Paul-James, Jones, Klaus, Wagner, Christofer S, Tautermann, Zheng, Yang, Carl A, Busacca, Reginaldo A, Saraceno, Keith R, Fandrick, Nina C, Gonnella, Keith, Horspool, Gordon, Hansen, Chris H, Senanayake
Publikováno v:
The Journal of organic chemistry. 82(10)
An accurate and efficient procedure was developed for performing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::fc70e9210e36f129efaaa5f04f306bd9
https://pubmed.ncbi.nlm.nih.gov/28398046
https://pubmed.ncbi.nlm.nih.gov/28398046
Autor:
Dongyue, Xin, Charles Avery, Sader, Udo, Fischer, Klaus, Wagner, Paul-James, Jones, Minli, Xing, Keith R, Fandrick, Nina C, Gonnella
Publikováno v:
Organicbiomolecular chemistry. 15(4)
The calculation of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ed8237941cfd99ef20ab8efbbb3c48e2
https://pubmed.ncbi.nlm.nih.gov/28050610
https://pubmed.ncbi.nlm.nih.gov/28050610
Autor:
Carl A. Busacca, Scot Campbell, XuWu Feng, Nelu Grinberg, Varsolona Richard J, Paul-James Jones, Xudong Wei, Nizar Haddad, Oliver Niemeier, Chris H. Senanayake, Wendelin Samstag, Heewon Lee, Juergen Schroeder, Jana Vitous, Vittorio Farina, Nina C. Gonnella, Thilo Berkenbusch, Earl Spinelli, John A. Smoliga, Jon C. Lorenz, Suresh R. Kapadia, Zhibin Li, Max Sarvestani, Anjan Saha
Publikováno v:
Asian Journal of Organic Chemistry. 1:80-89
A concise synthetic route for large-scale manufacture of the hepatitis C virus (HCV) protease inhibitor BI 201335 has been developed. A convergent synthetic design was achieved by using three advanced intermediates: a densely functionalized thiazole-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::707936b50f896303356fb30b8a615528
https://doi.org/10.1002/ajoc.201200014
https://doi.org/10.1002/ajoc.201200014
Autor:
XuWu Feng, Vittorio Farina, Ji-Young Kim, Fang-Ting Chiu, Tory H. Powner, Jason Kelley, Mark S. Davis, Fenghe Qiu, Daniel L. Norwood, Yong Dong, Carl A. Busacca, Bruno Haché, Young S. Lo, Tom Curtis, Paul-James Jones, Jana Vitous, Robert D. Simpson, Rich Varsolona, Jim Brong, Magnus C. Eriksson, Mike Cerreta, Jean-Simon Duceppe, Pierre L. Beaulieu, Scot J. Campbell, Max Sarvestani, Jon C. Lorenz
Publikováno v:
Organic Process Research & Development. 12:603-613
The pilot-plant synthesis of nevirapine analogue 1 is described. The compound was prepared in eight steps from substituted pyridine raw materials and 4-hydroxyquinoline. The key transformation involves a novel one-pot conversion of an arylhalide to a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e0feca550c211e03fd8878cedde9db7
https://doi.org/10.1021/op8000756
https://doi.org/10.1021/op8000756
Autor:
Carl A. Busacca, Chris H. Senanayake, Jon C. Lorenz, Nizar Haddad, Nelu Grinberg, Ravinder Raju, and Anjan Saha, Heewon Lee, Paul James-Jones
Publikováno v:
The Journal of Organic Chemistry. 73:1524-1531
The reduction of tertiary phosphine oxides (TPOs) and sulfides with diisobutylaluminum hydride (DIBAL-H) has been studied in detail. An extensive solvent screen has revealed that hindered aliphatic ethers, such as MTBE, are optimum for this reaction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::504c5ec8fc5d11c916e4e21da3c6d65a
https://doi.org/10.1021/jo7024064
https://doi.org/10.1021/jo7024064
Publikováno v:
Journal of Labelled Compounds and Radiopharmaceuticals. 51:54-58
5-Amino-4-iodopyrimidine labeled with either carbon-14 or with the stable isotopes carbon-13 and nitrogen-15 was prepared starting from commercially available labeled diethylmalonate and formamide. This compound is a useful intermediate for carbon–
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1ffb631d071428d6f086d6466b35cbbd
https://doi.org/10.1002/jlcr.1477
https://doi.org/10.1002/jlcr.1477
Autor:
Marine Dufour, Varsolona Richard J, Frank Roschangar, James Gillard, Bruce Z. Lu, Emilie Estanove, Jianxiu Liu, Jürgen Dr. Schröder, Azad Hossain, Heewon Lee, Pierre L. Beaulieu, Chris H. Senanayake, Paul-James Jones, Vittorio Farina, Sonia Rodriguez, Eugene R. Hickey
Publikováno v:
Tetrahedron Letters. 49:363-366
A regioselective Larock approach to 3-substituted-2-pyridin-2-ylindoles from 2-alkynylpyridines and 2-iodoanilines is described herein. The unexpectedly high regioselectivity can be rationalized by a combination of steric, coordinative and electronic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d409dfbbc1f4341280d8ba1e52f18853
https://doi.org/10.1016/j.tetlet.2007.11.040
https://doi.org/10.1016/j.tetlet.2007.11.040