Method of researching reaction mechanism by utilizing MCR-ALS (Multivariate Curve Resolution-Alternating Least Squares) combined with infrared online spectrum
A technology of MCR-ALS and reaction mechanism, which is applied to the measurement of color/spectral characteristics, etc., can solve problems such as inconsistent baselines, difficulties in analysis and observation, and interference of measurement results, and achieve the effects of saving reagents, simple measurement methods, and no lagging information
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[0040] The method for studying the reaction mechanism of the present invention will be described below by taking o-phenylenediamine and 4-methylbenzaldehyde as raw materials to synthesize 2-(4-methylphenyl)benzimidazole as an example.
[0041] (1) First, online infrared monitoring of the synthesis of 2-(4-methylphenyl)benzimidazole:
[0042] The reaction process was monitored online using the fiber optic probe accessory of the V70 infrared spectrometer from Bruker, Germany. Add 15 mL of methanol and 1.04 g (10 mmol) of sodium bisulfite (catalyst) into a 50 mL three-necked flask, stir evenly and scan the background, then add 1.08 g (10 mmol) of o-phenylenediamine, raise the temperature to reflux, and add 1.2 mL (10 mmol) of 4-methylbenzaldehyde, began to collect infrared spectrum data online, kept under reflux and stirred for 2.6 hours to complete the reaction, and obtained a light yellow solution.
[0043] get as figure 1A three-dimensional spectral matrix [1763 × 1344] comp...
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