Computational chemistry and mechanistic studies

For selected publications please see:

Mechanism and cis/trans Selectivity of Vinylogous Nazarov-Type [6π] Photocyclizations
S. Pusch, A. Tröster, D. Lefrancois, P. Farahani, A. Dreuw, T. Bach, T. Opatz, J. Org. Chem. 2018, 83, 964–972.

Synthesis and Unusual NMR-Spectroscopic Behavior of a Strained Bicyclic Ammonium Salt
S. Pusch, D. Schollmeyer, T. Opatz, Eur. J. Org. Chem. 2018, 1204-1207. (Cover picture)

Oxidation of Trialkylamines by BrCCl3—Scope, Applications and Mechanistic Aspects
A. M. Nauth, J. C. Orejarena Pacheco, S. Pusch, T. Opatz, Eur. J. Org. Chem. 2017, 6966–6974.

Characterization of the synthetic cannabinoid MDMB-CHMCZCA
Carina Weber, Stefan Pusch, Dieter Schollmeyer, Sascha Münster-Müller, Michael Pütz and Till Opatz
Beilstein J. Org. Chem. 2016, 12, 2808–2815.

Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo-[1,2-a]pyrazoles using Chiroptical Methods at Different Wavelengths.
Eva Pušavec Kirar, Uroš Grošelj, Amalija Golobič, Franc Požgan, Stefan Pusch, Carina Weber, Lars Andernach, Bogdan Štefane, Till Opatz, Jurij Svete
J. Org. Chem. 2016, 81, 11802–11812.

Terphenyl Derivatives from Allantophomopsis lycopodina
Andernach, Lars; Sandjo, Louis; Liermann, Johannes; Schlämann, Ricardo; Richter, Christian; Ferner, Jan-Peter; Schwalbe, Harald; Schueffler, Anja; Thines, Eckhard; Opatz, Till
J. Nat. Prod. 2016, 79, 2718–2725.

A Light-Induced Vinylogous Nazarov-Type Cyclization
S. Pusch, D. Schollmeyer, T. Opatz
Org. Lett. 2016, 18, 3043-3045.

Separation, isolation and stereochemical assignment of imazalil enantiomers and their quantitation in an in vitro toxicity test
M. Escolà Casas, A. C. Kretschmann, L. Andernach, T. Opatz, K. Bester
J. Chromatogr. A 2016, 1452, 116-120.

Absolute configuration of the synthetic cannabinoid MDMB-CHMICA with its chemical characteristics in illegal products
L. Andernach, S. Pusch, C. Weber, D. Schollmeyer, S. Münster-Müller, M. Pütz, T. Opatz, Forensic Toxicol. 2016, 34, 344-352.

Synthesis and Isolation of Enantiomerically Enriched Cyclopenta[b]benzofurans based on Products from Anodic Oxidation of 2,4-Dimethylphenol
M. Mirion, L. Andernach, C. Stobe, J. Barjau, D. Schollmeyer, T. Opatz, A. Lützen, S. R. Waldvogel
Eur. J. Org. Chem. 2015, 4876-4882.

Total Synthesis of Oxalicumone C and Elucidation of its Absolute Configuration
C. Wink, L. Andernach, T. Opatz, S. R. Waldvogel
Eur. J. Org. Chem. 2014, 7788-7792.

A Photochemical One-Pot Three-Component Synthesis of Tetrasubstituted Imidazoles
S. Pusch, T. Opatz
Org. Lett. 2014, 16, 5430-5433.

Assignment of the Absolute Configuration and Total Synthesis of (+)-Caripyrin
L. Andernach, T. Opatz
Eur. J. Org. Chem. 2014, 22, 4780-4784.

Configurational Assignment of a Series of Dioxolane-Type Secondary Metabolites
from Guignardia bidwellii - A comparison of VCD and ECD Spectroscopy
L. Andernach, L. P. Sandjo, J. C. Liermann, I. Buckel, E. Thines, T. Opatz
Eur. J. Org. Chem. 2013, 5946-5951.