Synthesis, Physicochemical Study, and Quantum-Chemical Simulation of Hydrazones Based on 2-Hydrazinoimidazoline

L. D. Popov; S. I. Levchenkov; I. N. Shcherbakov

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Synthesis, Physicochemical Study, and Quantum-Chemical Simulation of Hydrazones Based on 2-Hydrazinoimidazoline

机译：基于2-肼基咪唑啉的s的合成，理化研究和量子化学模拟

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2-Imidazolinylhydrazones of salicylic aldehyde, 2-N-tosylaminobenzaldehyde, and 1-phenyl-3-methyl-4-formylpyrazolone-5 are synthesized and studied by the IR, NMR, and electronic spectroscopy. Quantum chemical calculations of geometry and total energy of possible tautomers in a vacuum and ethanol solution are carried out. It is shown that in all cases diazine tautomers are the most stable.

机译：合成了水杨醛的2-咪唑啉基hydr，2-N-甲苯磺酰基氨基苯甲醛和1-苯基-3-甲基-4-甲酰基吡唑啉酮-5，并通过IR，NMR和电子光谱研究。在真空和乙醇溶液中，对可能的互变异构体的几何形状和总能量进行了量子化学计算。结果表明，在所有情况下，二嗪互变异构体都是最稳定的。

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来源
《Russian Journal of General Chemistry》 |2014年第4期|共6页
作者
L. D. Popov; S. I. Levchenkov; I. N. Shcherbakov;
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原文格式 PDF
正文语种 eng
中图分类化学;
关键词
hydrazones; modeling; tautomerizm; DFT calculations;

机译：hydr;建模;互变异构;DFT计算;

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1. Synthesis, Physicochemical Study, and Quantum-Chemical Simulation of Hydrazones Based on 2-Hydrazinoimidazoline [J] . L. D. Popov, S. I. Levchenkov, I. N. Shcherbakov Russian Journal of General Chemistry . 2014,第4期

机译：基于2-肼基咪唑啉的s的合成，理化研究和量子化学模拟
2. Quantum-Chemical Studies to Approach the Antioxidant Mechanism of Nonphenolic Hydrazone Schiff Base Analogs: Synthesis, Molecular Structure, Hirshfeld and Density Functional Theory Analyses [J] . Alam Mohammad Sayed, Lee Dong-Ung Bulletin of the Korean Chemical Society . 2015,第2期

机译：非酚Hy席夫碱类似物抗氧化机理的量子化学研究：合成，分子结构，Hirshfeld和密度泛函理论分析
3. 2,6-Diformyl-4-tert-butylphenol Bis(8-quinolylhydrazone) and Its Transition Metal Complexes: Physicochemical Study and Quantum-Chemical Simulation [J] . L. D. Popov, S. I. Levchenkov, I. N. Shcherbakov Russian Journal of General Chemistry . 2008,第1期

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4. Synthesis and Spectral Studies of Zinc (II) Complexes of a Schiff Base Derived from Isatin Hydrazone and 2-Hydroxy Naphthaldehyde [C] . J. Renjitha, G. S.Thara Congress on Light . 2017

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5. Synthesis of Aryl-Based Cyclopentadienyl Lithium Compounds for Self-Assembly and Proton Relays in Hydrazone-Based Rotary Switches. [D] . Foy, Justin T. 2014

机译：基于Hy的旋转开关中用于自组装和质子中继的基于芳基的环戊二烯基锂化合物的合成。
6. Synthesis Physicochemical Studies Molecular Dynamics Simulations and Metal-Ion-Dependent Antiproliferative and Antiangiogenic Properties of Cone ICL670-Substituted Calix4arenes [O] . Dr. Pascal Rouge, Dr. Alexandra Dassonville-Klimpt, Dr. Christine Cézard, -1

机译：合成物理化学研究分子动力学模拟和金属离子依赖性抗增殖和锥形ICL670取代胶的抗血管性能4芳烃
7. Synthesis, Physicochemical Studies, Molecular Dynamics Simulations, and Metal-Ion-Dependent Antiproliferative and Antiangiogenic Properties of Cone ICL670-Substituted Calix[4]arenes. [O] . Rouge, Pascal, Dassonville-Klimpt, Alexandra, Cézard, Christine, 2012

机译：圆锥形ICL670取代杯形芳烃[4]的合成，理化研究，分子动力学模拟以及金属离子依赖性的抗增殖和抗血管生成特性。

Synthesis, Physicochemical Study, and Quantum-Chemical Simulation of Hydrazones Based on 2-Hydrazinoimidazoline

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