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In silico and in vitro studies of the reduction of unsaturated α,β bonds of trans-2-hexenedioic acid and 6-amino-trans-2-hexenoic acid – Important steps towards biobased production of adipic acid

Fig 10

Identification of ring closure product of 6-amino-trans-2-hexenoic acid.

NMR spectra of A) 6-amino-trans-2-hexenoic acid at 25°C before heating, B) 6-amino-trans-2-hexenoic acid after being heated at 90°C for 6 h, where additional peaks can be seen, indicated by asterisks. C) NMR spectrum of 2-pyrrolidineacetic acid. D) Proposed 2-pyrrolidineacetic acid formation mechanism by intra-molecular cyclization.

Fig 10

doi: https://doi.org/10.1371/journal.pone.0193503.g010