Dr. Boris Maryasin

University of Vienna
Institute of Theoretical Chemistry
Währinger Str. 17
1090 Vienna

+43 1 4277 52763

RID: P-3000-2016
ORCID: 0000-0001-7943-7333

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.
  1. B. Maryasin, P. Marquetand, N. Maulide
    Machine Learning for Organic Synthesis: Robots Replacing Chemists?
    Angew. Chem., in press (2018)
  2. B. Maryasin, D. Kaldre, R. Galaverna, I. Klose, S. Ruider, M. Drescher, H. Kählig, L. González, M. N. Eberlin, I. D. Jurberg, N. Maulide
    Unusual Mechanisms in Claisen Rearrangements: an Ionic Fragmentation leading to a meta-Selective Rearrangement
    Chem. Sci., 9, 4124-4131 (2018).
  3. 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).
  4. 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).
  5. 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).
  6. 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).
  7. D. Kaldre, B. Maryasin, D. Kaiser, O. Gajsek, L. González, N. Maulide
    An Asymmetric Redox Arylation: Chirality Transfer from Sulfur to Carbon through a Sulfonium [3, 3]-Sigmatropic Rearrangement
    Angew. Chem. Int. Ed., 56, 2212-2215 (2017).
  8. J. Arras, K. Eichele, B. Maryasin, H. Schubert, C. Ochsenfeld, L. Wesemann
    Intermolecular 119Sn, 31P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex
    Inorg. Chem., 55, 4669-4675 (2016).
  9. 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).
  10. 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).
  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).
  12. C. Lindner, Y. Liu, K. Karaghiosoff, B. Maryasin, H. Zipse
    The Aza-Morita-Baylis-Hillman Reaction: a Mechanistic and Kinetic Study
    Chem. Eur. J., 19, 6429-6434 (2013).
  13. C. Lindner, R. Tandon, B. Maryasin, E. Larionov, H. Zipse
    Cation affinity numbers of Lewis bases
    Beilstein J. Org. Chem., 8, 1406-1442 (2012).
  14. 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).
  15. 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).
  16. C. Lindner, B. Maryasin, F. Richter, H. Zipse
    Methyl cation affinity (MCA) values for phosphanes
    J. Phys. Org. Chem., 23, 1036-1042 (2010).
  17. 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., 2617-2624 (2009).
  18. L. P. Stepovik, M. V. Gulenova, I. M. Martynova, B. Maryasin and V. K. Cherkasov
    Titanium Tetra-tert-butoxide-tert-Butyl Hydroperoxide Oxidizing System: Physicochemical and Chemical Aspects
    Russ. J. General Chem., 78, 2, 266-276 (2008).
  19. B. Maryasin, A. S. Shavyrin, J.-P. Finet, A. Yu. Fedorov
    Use of 2-(methoxycarbonyl)phenyllead triacetate in lactone synthesis
    Russ. Chem. Bull., 55, 9, 1612-1616 (2006).