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Ethyl 5-ferrocenyl-1H-pyrazolecarboxylates: The synthesis and redox properties

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Abstract

Redox potentials of isomeric ethyl 5-ferrocenyl-1H-pyrazole-3-carboxylates 2 and ethyl 5-ferrocenyl-1H-pyrazole-4-carboxylates 4 were measured and their dependences on the acidity of the medium were determined. The structures of various conformers of neutral molecules and corresponding radical cations were calculated by the B3LYP/6-31G* method. The results of calculations for neutral molecules were confirmed by X-ray data.

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Authors and Affiliations

  1. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 119991, Moscow, Russian Federation

    V. N. Kulikov, O. M. Nikitin, Yu. A. Borisov, A. S. Makarov, A. N. Rodionov, R. S. Nikulin & Yu. A. Belousov

  2. D. Mendeleyev University of Chemical Technology of Russia, 9 Miusskaya pl., 125047, Moscow, Russian Federation

    V. N. Kulikov, R. S. Nikulin & L. V. Kovalenko

Authors
  1. V. N. Kulikov
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  2. O. M. Nikitin
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  3. Yu. A. Borisov
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  4. A. S. Makarov
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  5. A. N. Rodionov
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  6. R. S. Nikulin
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  7. L. V. Kovalenko
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  8. Yu. A. Belousov
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Correspondence to V. N. Kulikov.

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Dedicated to Academician of the Russian Academy of Sciences Yu. N. Bubnov on the occasion of his 80th birthday and to the 60th anniversary of the foundation of A. N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences.

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2255–2259, October, 2014.

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Kulikov, V.N., Nikitin, O.M., Borisov, Y.A. et al. Ethyl 5-ferrocenyl-1H-pyrazolecarboxylates: The synthesis and redox properties. Russ Chem Bull 63, 2255–2259 (2014). https://doi.org/10.1007/s11172-014-0731-3

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  • DOI: https://doi.org/10.1007/s11172-014-0731-3

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