Fast and calibration free determination of first order reaction kinetics in API synthesis using in-situ ATR-FTIR

Eur J Pharm Biopharm. 2018 May;126:95-100. doi: 10.1016/j.ejpb.2017.09.013. Epub 2017 Sep 28.


In early stages of drug development only sparse amounts of the key substances are available, which is problematic for the determination of important process data like reaction kinetics. Therefore, it is important to perform experiments as economically as possible, especially in regards to limiting compounds. Here we demonstrate the use of a temperature step experiment enabling the determination of complete reaction kinetics in a single non-isothermal experiment. In contrast to the traditionally used HPLC, the method takes advantage of the high measuring rate and the low amount of labor involved in using in-situ ATR-FTIR to determine time-dependent concentration-equivalent data.

Keywords: API; In-situ ATR-FTIR; Reaction kinetics; Synthesis.

MeSH terms

  • Calibration
  • Kinetics
  • Pharmaceutical Preparations / analysis*
  • Pharmaceutical Preparations / metabolism*
  • Spectroscopy, Fourier Transform Infrared / methods*
  • Temperature*
  • Time Factors


  • Pharmaceutical Preparations