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Abstract <p>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, <sup>1</sup>H NMR, <sup>13</sup>C 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.</p>

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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

  • 期刊论文

  • 发表日期：

    2025年2月1日

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  • F. S. Mohamed,
  • J. Bąkowicz,
  • B. Dziuk,
  • G. A. M. Nawwar

摘要

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.