(E)-N′-((2E,3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothiohydrazide

Thiocarbohydrazone derivatives are of interest due to their extended conjugated systems and versatile structural features. In this study, a new symmetric thiocarbohydrazone derivative of β-ionone was synthesized and characterized. The obtained compound was investigated by FTIR and UV–Vis spectroscopy, mass spectrometry, and 1H and 13C NMR spectroscopy. The 1H NMR spectrum confirmed the expected symmetry of the molecule and showed two olefinic doublets with a 3JH,H coupling constant of 16.5 Hz, consistent with a trans (E) configuration of the conjugated C=C bonds. The 13C NMR spectrum showed the characteristic thiocarbonyl and imine carbon signals at δ 174.48 ppm and δ 141.88 ppm, respectively, together with the expected olefinic and aliphatic carbon resonances. Mass spectrometric analysis revealed a prominent ion at m/z 455.3158, assigned to the protonated molecular ion [M + H] +, in agreement with the proposed molecular mass. The FTIR spectrum further supported the formation of the title compound. Overall, the combined spectroscopic and mass spectrometric data support the proposed structure of the synthesized compound.

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Publication Details

Journal
Molbank
Published
2026-11-11
DOI
https://doi.org/10.3390/m2257
Primary Topic
Synthesis and Reactivity of Sulfur-Containing Compounds
Type
article
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article

(E)-N′-((2E,3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothiohydrazide

Laurian Vlase, Ovidiu Oniga, Gabriel Marc, Adrian Pı̂rnău et al.
Molbank
Synthesis and Reactivity of Sulfur-Containing Compounds
article

(E)-N′-((2E,3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothiohydrazide

Laurian Vlase, Ovidiu Oniga, Gabriel Marc, Adrian Pı̂rnău, Ovidiu Crișan
article en

Abstract

Thiocarbohydrazone derivatives are of interest due to their extended conjugated systems and versatile structural features. In this study, a new symmetric thiocarbohydrazone derivative of β-ionone was synthesized and characterized. The obtained compound was investigated by FTIR and UV–Vis spectroscopy, mass spectrometry, and 1H and 13C NMR spectroscopy. The 1H NMR spectrum confirmed the expected symmetry of the molecule and showed two olefinic doublets with a 3JH,H coupling constant of 16.5 Hz, consistent with a trans (E) configuration of the conjugated C=C bonds. The 13C NMR spectrum showed the characteristic thiocarbonyl and imine carbon signals at δ 174.48 ppm and δ 141.88 ppm, respectively, together with the expected olefinic and aliphatic carbon resonances. Mass spectrometric analysis revealed a prominent ion at m/z 455.3158, assigned to the protonated molecular ion [M + H] +, in agreement with the proposed molecular mass. The FTIR spectrum further supported the formation of the title compound. Overall, the combined spectroscopic and mass spectrometric data support the proposed structure of the synthesized compound.

MolbankVol. 2026(6)
Iuliu Hațieganu University of Medicine and Pharmacy (RO), National Institute for Research and Development of Isotopic and Molecular Technologies (RO)
Synthesis and Reactivity of Sulfur-Containing Compounds
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