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Laszcz M.,Pharmaceutical Research Institute PRI | Kubiszewski M.,Pharmaceutical Research Institute PRI | Jedynak L.,Pharmaceutical Research Institute PRI | Kaczmarska M.,Pharmaceutical Research Institute PRI | And 6 more authors.
Molecules | Year: 2013

In this article the crystal structures of the starting material TZ-5 and the key intermediate TZ-6 of temozolomide (TZ-7), an anticancer therapeutic agent, are presented, together with their spectroscopic and thermal characteristics. Both compounds crystallize in the triclinic P-1 space group. X-ray crystallography studies proved that the compound TZ-6 exists as a monohydrate. A complete structural assignment was obtained for the signals in the 1H-, 13C- and 15N-nuclear magnetic resonance spectra and the structures were confirmed by Fourier-Transform infrared and Raman spectroscopy. The article describes the importance of the high purity of TZ-6 during the small-scale plant production of TZ-7 in a desired polymorphic form III with the purity higher than 99.50%, according to an HPLC method. © 2013 by the authors; licensee MDPI, Basel, Switzerland.

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