Synthesis, Crystal Structure and Spectral Characterization of 5-Methyl-2-(Propan-2-yl)Cyclohexyl Cyanoacetate and 1,3,3-Trimethylbicyclo[2.2.1]Heptan-2-yl Cyanoacetate

Abstract

The titled compounds are synthesized using a conventional esterification method, involving the reaction of the desired alcohol with cyanoacetic acid. Single crystal is obtained through recrystallization. The compounds are characterized using elemental analysis, IR, ¹H NMR, ¹³C NMR spectroscopy, and mass spectrometry. The structural parameters, including bond distances and angles, are analyzed and discussed based on X-ray study result. The study reveals that the hydrogen atoms of the methylene groups in the two synthesized compounds exhibit a rigid C–H rotating group. The absolute configuration of the stereogenic centers in both compounds is consistent with the substrate used in their synthesis.