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Abstract <p>This work describes the synthesis of bis(β-hydroxy-/chloroethyl)amino-5-nitrophthalonitriles. Optimal experimental conditions were selected. The structure was confirmed by IR, UV-Vis, <sup>1</sup>H, <sup>13</sup>C, and 2D HSQC, HMBC NMR spectroscopy, mass spectrometry (MALDI-TOF), X-ray diffraction analysis, and verified by quantum chemical calculations using the density functional theory (DFT) method with the B3LYP hybrid functional and the 6-31G(d,p) basis set.</p>

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Synthesis and Properties of 4-(Bis(β-hydroxyethyl)amino)-5-nitrophthalonitrile and 4-(Bis(β-chloroethyl)amino)-5-nitrophthalonitrile

  • 期刊论文

  • 发表日期：

    2025年11月1日

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  • E. A. Petukhova,
  • M. V. Dmitriev,
  • E. A. Danilova

摘要

Abstract

This work describes the synthesis of bis(β-hydroxy-/chloroethyl)amino-5-nitrophthalonitriles. Optimal experimental conditions were selected. The structure was confirmed by IR, UV-Vis, 1H, 13C, and 2D HSQC, HMBC NMR spectroscopy, mass spectrometry (MALDI-TOF), X-ray diffraction analysis, and verified by quantum chemical calculations using the density functional theory (DFT) method with the B3LYP hybrid functional and the 6-31G(d,p) basis set.