 | Dr. Boris Maryasin University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria boris.maryasin@univie.ac.at +43 1 4277 52763 RID: P-3000-2016 ORCID: 0000-0001-7943-7333 Google Scholar: ho_iIhQAAAAJ |
| Focus Area |
| We clarify the mechanisms of organic transformations and predict the reaction outcomes, such as regio- and enantioselectivity, using modern quantum chemical approaches. The close collaborations with synthetic organic chemists allow us to verify and test our predictions. Our aim is to improve the efficiency of the experiments with theoretical studies. |
| Publications |
A disulfide-based linker for thiol-norbornene conjugation: formation and cleavage of hydrogels by the use of light (submitted), (2021) 26. L. Baldassari, A. Mantovani, M. Jardim, B. Maryasin, L. González, N. Maulide, D. Lüdtke Meyer-Schuster-type Rearrangement for the Synthesis of α-Selanyl-α,β-Unsaturated Thioe-sters (submitted), (2021) 25. W. Zawodny, C. J. Teskey, M. Mishevska, M. Völkl, B. Maryasin, L. González, N. Maulide Alpha-functionalisation of ketones through metal-free electrophilic activation Angew. Chem. 59, 20935-20939, (2020), DOI: 10.1002/anie.202006398 W. Zawodny, C. J. Teskey, M. Mishevska, M. Völkl, B. Maryasin, L. González, N. Maulide A Unified Approach to the Chemoselective α-Functionalization of Amides with Heteroatom Nucleophiles J. Am. Chem. Soc. 141, 18437-18443, (2019), DOI: 10.1021/jacs.9b06956 23. Y. Chen, G. Coussanes, C. Souris, P. Aillard, D. Kaldre, K. Runggatscher, S. Kubicek, G. Di Mauro, B. Maryasin, N. Maulide A Domino 10-Step Total Synthesis of FR252921 and Its Analogues, Complex Macrocyclic Immunosuppressants J. Am. Chem. Soc. 141, 13772-13777, (2019), DOI: 10.1021/jacs.9b07185 22. J. Li, R. Oost, B. Maryasin, L. González, N. Maulide A Redox-Neutral Synthesis of Ketones by Coupling of Alkenes and Amides Nat. Commun. 10, 2327, (2019), DOI: 10.1038/s41467-019-10151-x Press release: On the Stability of Disubstituted Cyclobutenes - A Computational Study Eur. J. Org. Chem. 2-3, 338-341, (2019), DOI: 10.1002/ejoc.201801243 20. L. L. Baldassari, A. C. Mantovani, S. Senoner, B. Maryasin, N. Maulide, D. S. Lüdtke Redox-Neutral Synthesis of Selenoesters by Oxyarylation of Selenoalkynes under Mild Conditions Org. Lett. 20, 5881-5885, (2018), DOI: 10.1021/acs.orglett.8b02544 19. B. Maryasin, P. Marquetand, N. Maulide Machine Learning for Organic Synthesis: Robots Replacing Chemists? Angew. Chem. Int. Ed. 57, 6978-6980, (2018), DOI: 10.1002/anie.201803562 18. B. Maryasin, D. Kaldre, R. Galaverna, S. Ruider, M. Drescher, H. Kählig, L. González, M. Eberlin, I. Jurberg, N. Maulide Unusual mechanisms in claisen rearrangements: Ionic fragmentation and apparent meta-selective arylation Chem. Sci. 9, 4124-4131, (2018), DOI: 10.1039/C7SC04736C 17. A. Pinto, D. Kaiser, B. Maryasin, G. di Mauro, L. González, N. Maulide Hydrative aminoxylation of ynamides: One reaction, two mechanisms Chem. Eur. J. 24, 2515-2519, (2018), DOI: 10.1002/chem.201706063 16. G. Di Mauro, B. Maryasin, D. Kaiser, S. Shaaban, L. González, N. Maulide Mechanistic pathways in amide activation: flexible synthesis of oxazoles and imidazoles Org. Lett. 19, 3815-3818, (2017), DOI: 10.1021/acs.orglett.7b01678 15. V. Tona, B. Maryasin, A. de la Torre, J. Sprachmann, L. González, N. Maulide Direct regioselective synthesis of tetrazolium salts by activation of secondary amides under mild conditions Org. Lett. 19, 2662-2665, (2017), DOI: 10.1021/acs.orglett.7b01004 14. J. Egli, C. Siebler, B. Maryasin, R. S. Erdmann, C. Bergande, C. Ochsenfeld, H. Wennemers pH-Responsive Aminoproline-Containing Collagen Triple Helices Chem. Eur. J. 23, 7938-7944, (2017), DOI: 10.1002/chem.201701134 13. D. Kaldre, B. Maryasin, D. Kaiser, O. Gajsek, L. González, N. Maulide An asymmetric redox arylation: chirality transfer from sulfur to carbon via a sulfonium [3,3]-rearrangement Angew. Chem. Int. Ed. 56, 2212-2215, (2017), DOI: 10.1002/anie.201610105 D. Kaldre, B. Maryasin, D. Kaiser, O. Gajsek, L. González, N. Maulide Intermolecular 119Sn, 31P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex Inorg. Chem. 55, 4669-4675, (2016), DOI: 10.1021/acs.inorgchem.6b00573 11. C. Siebler, B. Maryasin, M. Kuemin, R. S. Erdmann, C. Rigling, C. Grünenfelder, C. Ochsenfeld, H. Wennemers Importance of dipole moments and ambient polarity for the conformation of Xaa-Pro moieties - a combined experimental and theoretical study Chem. Sci. 6, 6725-6730, (2015), DOI: 10.1039/C5SC02211H 10. K.-O. Feldmann, T. Wiegand, J. Ren, H. Eckert, J. Breternitz, M. F. Groh, U. Müller, M. Ruck, B. Maryasin, C. Ochsenfeld, O. Schön, K. Karaghiosoff, J. J. Weigand [P3Se4]+: A Binary Phosphorus-Selenium Cation Chem. Eur. J. 21, 9697-9712, (2015), DOI: 10.1002/chem.201406476 9. B. Maryasin, M. Olbrich, D. Trauner, C. Ochsenfeld Calculated Nuclear Magnetic Resonance Spectra of Polytwistane and Related Hydrocarbon Nanorods J. Chem. Theory Comput. 11, 1020-1026, (2015), DOI: 10.1021/ct5011505 8. C. Lindner, Y. Liu, K. Karaghiosoff, B. Maryasin, H. Zipse The Aza-Morita-Baylis-Hillman Reaction: a Mechanistic and Kinetic Stud Chem. Eur. J. 19, 6429-6434, (2013), DOI: 10.1002/chem.201204006 7. C. Lindner, R. Tandon, B. Maryasin, E. Larionov, H. Zipse Cation affinity numbers of Lewis bases Beilstein J. Org. Chem. 8, 1406-1442, (2012), DOI: 10.3762/bjoc.8.163 6. C. Lindner, R. Tandon, Y. Liu, B. Maryasin, H. Zipse The aza-Morita-Baylis-Hillman Reaction of Electronically and Sterically Deactivated Substrates Org. Biomol. Chem. 10, 3210-3218, (2012), DOI: 10.1039/c2ob07058h 5. B. Maryasin, H. Zipse Theoretical Studies of 31P NMR Spectral Properties of Phosphanes and Related Compounds in Solution Phys. Chem. Chem. Phys. 13, 5150-5158, (2011), DOI: 10.1039/c0cp02653k 4. C. Lindner, B. Maryasin, F. Richter, H. Zipse Methyl cation affinity (MCA) values for phosphanes J. Phys. Org. Chem. 23, 1036-1042, (2010), DOI: 10.1002/poc.1726 3. Y. Wei, B. Sateesh, B. Maryasin, G. N. Sastry, H. Zipse The performance of computational techniques in locating the charge separated intermediates in organocatalytic transformations J. Comp. Chem. 30, 2617-2624, (2009), DOI: 10.1002/jcc.21271 2. L. P. Stepovik, M. V. Gulenova, I. M. Martynova, B. Maryasin, V. K. Cherkasov Titanium Tetra-tert-butoxide-tert-Butyl Hydroperoxide Oxidizing System: Physicochemical and Chemical Aspects Russ. J. General Chem. 78, 266-276, (2008), DOI: 10.1134/S1070363208020151 1. B. Maryasin, A. S. Shavyrin, J.-P. Finet, A. Yu. Fedorov Use of 2-(methoxycarbonyl)phenyllead triacetate in lactone synthesis Russ. Chem. Bull. 55, 1612-1616, (2006), DOI: 10.1007/s11172-006-0462-1 |