IEC 77 |
| Allan S. Myerson, Armour College of Engineering and Science, Illinois Institute of Technology, 3301 South Dearborn Street, Chicago, IL 60616 and Takashi Mukuta, Particle Technology and Crystallization Center, Illinois Institute of Technology, SH103, 3301 S Dearborn, Chicago, 60616. |
| (2Z)-2-cyano-3-hydroxy-N-[4-(trifluorometyl)phenyl]-2-hepten-6-ynamide, is an immunosuppressive agent, with three polymorphic forms (A, B and C). The solution-mediated transformation of the metastable A form to the stable B form was investigated in 2-propanol, the rate of transformation was quantified using PXRD. These studies showed that the rate of transformation was sensitive to the purity of the raw material, and that the presence of certain reaction specific impurities would reduce the rate of transformation. Concurrently molecular modelling studies were undertaken to investigate the binding energies between the various impurities and the material of interest. The results obtained from calculation of binding energies agreed with the experimental result. These results indicate that binding energy calculations are useful for estimating the potential degree of inhibition caused by the presence of an impurity. |
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Industrial Crystallization (sponsored by Separation Science & Technology Subdivision)
1:45 PM-5:00 PM, Monday, March 24, 2003 Convention Center -- Room 393, Oral
Division of Industrial and Engineering Chemistry |